benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanamine;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylethanamine;2-piperidin-3-ylethanol;prop-2-enoyl chloride

C127H148Cl6N16O20 — CID 158936603

About benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanamine;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylethanamine;2-piperidin-3-ylethanol;prop-2-enoyl chloride

benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanamine;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylethanamine;2-piperidin-3-ylethanol;prop-2-enoyl chloride (PubChem CID 158936603) has the molecular formula C127H148Cl6N16O20 and a molecular weight of 2431.39 g/mol. Its IUPAC name is benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanamine;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylethanamine;2-piperidin-3-ylethanol;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanamine;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylethanamine;2-piperidin-3-ylethanol;prop-2-enoyl chloride
• PubChem CID: 158936603
• Molecular Formula: C127H148Cl6N16O20
• Molecular Weight: 2431.39 g/mol
• Exact Mass: 2426.92
• IUPAC Name: benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanamine;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylethanamine;2-piperidin-3-ylethanol;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.CC(=O)OCc1ccccc1.Clc1ccc(-c2cc3c(Cl)ncnc3cc2Cl)cc1.NC(=O)CC1CN(C(=O)OCc2ccccc2)CCN1C(=O)OCc1ccccc1.NCCC1CCCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)C1.NCCC1CCCNC1.O=C(O)CC1CN(C(=O)OCc2ccccc2)CCN1C(=O)OCc1ccccc1.O=C(OCc1ccccc1)N1CCN(C(=O)OCc2ccccc2)C(CCO)C1.OCCC1CCCNC1
• InChI: InChI=1S/C22H25N3O5.C22H24N2O6.C22H26N2O5.C21H22Cl2N4.C14H7Cl3N2.C9H10O2.C7H16N2.C7H15NO.C3H3ClO/c23-20(26)13-19-14-24(21(27)29-15-17-7-3-1-4-8-17)11-12-25(19)22(28)30-16-18-9-5-2-6-10-18;25-20(26)13-19-14-23(21(27)29-15-17-7-3-1-4-8-17)11-12-24(19)22(28)30-16-18-9-5-2-6-10-18;25-14-11-20-15-23(21(26)28-16-18-7-3-1-4-8-18)12-13-24(20)22(27)29-17-19-9-5-2-6-10-19;22-16-5-3-15(4-6-16)17-10-18-20(11-19(17)23)25-13-26-21(18)27-9-1-2-14(12-27)7-8-24;15-9-3-1-8(2-4-9)10-5-11-13(6-12(10)16)18-7-19-14(11)17;1-8(10)11-7-9-5-3-2-4-6-9;8-4-3-7-2-1-5-9-6-7;9-5-3-7-2-1-4-8-6-7;1-2-3(4)5/h1-10,19H,11-16H2,(H2,23,26);1-10,19H,11-16H2,(H,25,26);1-10,20,25H,11-17H2;3-6,10-11,13-14H,1-2,7-9,12,24H2;1-7H;2-6H,7H2,1H3;7,9H,1-6,8H2;7-9H,1-6H2;2H,1H2
• InChIKey: JJSLTJPWLFIFMB-UHFFFAOYSA-N
• XLogP: 22.49
• TPSA: 472.36 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2431.39
LogP ≤ 5	22.49
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanamine;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylethanamine;2-piperidin-3-ylethanol;prop-2-enoyl chloride?

The IUPAC name of benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanamine;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylethanamine;2-piperidin-3-ylethanol;prop-2-enoyl chloride (CID 158936603) is benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanamine;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylethanamine;2-piperidin-3-ylethanol;prop-2-enoyl chloride.

What is the SMILES notation for benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanamine;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylethanamine;2-piperidin-3-ylethanol;prop-2-enoyl chloride?

The canonical SMILES for benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanamine;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylethanamine;2-piperidin-3-ylethanol;prop-2-enoyl chloride is C=CC(=O)Cl.CC(=O)OCc1ccccc1.Clc1ccc(-c2cc3c(Cl)ncnc3cc2Cl)cc1.NC(=O)CC1CN(C(=O)OCc2ccccc2)CCN1C(=O)OCc1ccccc1.NCCC1CCCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)C1.NCCC1CCCNC1.O=C(O)CC1CN(C(=O)OCc2ccccc2)CCN1C(=O)OCc1ccccc1.O=C(OCc1ccccc1)N1CCN(C(=O)OCc2ccccc2)C(CCO)C1.OCCC1CCCNC1.

What is the InChIKey of benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanamine;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylethanamine;2-piperidin-3-ylethanol;prop-2-enoyl chloride?

The InChIKey is JJSLTJPWLFIFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5.C22H24N2O6.C22H26N2O5.C21H22Cl2N4.C14H7Cl3N2.C9H10O2.C7H16N2.C7H15NO.C3H3ClO/c23-20(26)13-19-14-24(21(27)29-15-17-7-3-1-4-8-17)11-12-25(19)22(28)30-16-18-9-5-2-6-10-18;25-20(26)13-19-14-23(21(27)29-15-17-7-3-1-4-8-17)11-12-24(19)22(28)30-16-18-9-5-2-6-10-18;25-14-11-20-15-23(21(26)28-16-18-7-3-1-4-8-18)12-13-24(20)22(27)29-17-19-9-5-2-6-10-19;22-16-5-3-15(4-6-16)17-10-18-20(11-19(17)23)25-13-26-21(18)27-9-1-2-14(12-27)7-8-24;15-9-3-1-8(2-4-9)10-5-11-13(6-12(10)16)18-7-19-14(11)17;1-8(10)11-7-9-5-3-2-4-6-9;8-4-3-7-2-1-5-9-6-7;9-5-3-7-2-1-4-8-6-7;1-2-3(4)5/h1-10,19H,11-16H2,(H2,23,26);1-10,19H,11-16H2,(H,25,26);1-10,20,25H,11-17H2;3-6,10-11,13-14H,1-2,7-9,12,24H2;1-7H;2-6H,7H2,1H3;7,9H,1-6,8H2;7-9H,1-6H2;2H,1H2.

What are the key properties of benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanamine;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylethanamine;2-piperidin-3-ylethanol;prop-2-enoyl chloride?

benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanamine;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylethanamine;2-piperidin-3-ylethanol;prop-2-enoyl chloride has a molecular weight of 2431.39 g/mol, XLogP of 22.49, 30 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanamine;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylethanamine;2-piperidin-3-ylethanol;prop-2-enoyl chloride is sourced from PubChem (CID 158936603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).