2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone

C26H32ClN3O4 — CID 17454779

IUPAC2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCOc1cc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C26H32ClN3O4/c1-33-24-17-21(7-10-23(24)34-19-20-5-8-22(27)9-6-20)26(32)30-15-13-28(14-16-30)18-25(31)29-11-3-2-4-12-29/h5-10,17H,2-4,11-16,18-19H2,1H3
InChIKeyRSWSVMUZNKPGKP-UHFFFAOYSA-N
MW486.01 g/mol
LogP3.70
Rot. Bonds7

About 2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 17454779) has the molecular formula C26H32ClN3O4 and a molecular weight of 486.01 g/mol. Its IUPAC name is 2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID17454779
Molecular FormulaC26H32ClN3O4
Molecular Weight486.01 g/mol
Exact Mass485.21
IUPAC Name2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCOc1cc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C26H32ClN3O4/c1-33-24-17-21(7-10-23(24)34-19-20-5-8-22(27)9-6-20)26(32)30-15-13-28(14-16-30)18-25(31)29-11-3-2-4-12-29/h5-10,17H,2-4,11-16,18-19H2,1H3
InChIKeyRSWSVMUZNKPGKP-UHFFFAOYSA-N
XLogP3.70
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.01
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

azepan-1-yl-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]methanone
CID 55407568
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
3-(4-chlorophenyl)-1-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108543806
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 55821680
[4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 32641638
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 21275342
1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
CID 108544807
[2-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanone
CID 119634307
2-[4-(3-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55376290
4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzoic acid
CID 22265114
[3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanone;hydrochloride
CID 119486917
(2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate
CID 16501974

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone (CID 17454779) is 2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone is COc1cc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is RSWSVMUZNKPGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O4/c1-33-24-17-21(7-10-23(24)34-19-20-5-8-22(27)9-6-20)26(32)30-15-13-28(14-16-30)18-25(31)29-11-3-2-4-12-29/h5-10,17H,2-4,11-16,18-19H2,1H3.
What are the key properties of 2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 486.01 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 17454779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).