propyl 2-[(4-chlorophenyl)carbamoyl]-4-[3-(furan-2-yl)benzoyl]piperazine-1-carboxylate

C26H26ClN3O5 — CID 121318066

IUPACpropyl 2-[(4-chlorophenyl)carbamoyl]-4-[3-(furan-2-yl)benzoyl]piperazine-1-carboxylate
SMILESCCCOC(=O)N1CCN(C(=O)c2cccc(-c3ccco3)c2)CC1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C26H26ClN3O5/c1-2-14-35-26(33)30-13-12-29(17-22(30)24(31)28-21-10-8-20(27)9-11-21)25(32)19-6-3-5-18(16-19)23-7-4-15-34-23/h3-11,15-16,22H,2,12-14,17H2,1H3,(H,28,31)
InChIKeyPCOQAWVTQWUOEL-UHFFFAOYSA-N
MW495.96 g/mol
LogP4.91
Rot. Bonds6

About propyl 2-[(4-chlorophenyl)carbamoyl]-4-[3-(furan-2-yl)benzoyl]piperazine-1-carboxylate

propyl 2-[(4-chlorophenyl)carbamoyl]-4-[3-(furan-2-yl)benzoyl]piperazine-1-carboxylate (PubChem CID 121318066) has the molecular formula C26H26ClN3O5 and a molecular weight of 495.96 g/mol. Its IUPAC name is propyl 2-[(4-chlorophenyl)carbamoyl]-4-[3-(furan-2-yl)benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namepropyl 2-[(4-chlorophenyl)carbamoyl]-4-[3-(furan-2-yl)benzoyl]piperazine-1-carboxylate
PubChem CID121318066
Molecular FormulaC26H26ClN3O5
Molecular Weight495.96 g/mol
Exact Mass495.16
IUPAC Namepropyl 2-[(4-chlorophenyl)carbamoyl]-4-[3-(furan-2-yl)benzoyl]piperazine-1-carboxylate
SMILESCCCOC(=O)N1CCN(C(=O)c2cccc(-c3ccco3)c2)CC1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C26H26ClN3O5/c1-2-14-35-26(33)30-13-12-29(17-22(30)24(31)28-21-10-8-20(27)9-11-21)25(32)19-6-3-5-18(16-19)23-7-4-15-34-23/h3-11,15-16,22H,2,12-14,17H2,1H3,(H,28,31)
InChIKeyPCOQAWVTQWUOEL-UHFFFAOYSA-N
XLogP4.91
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.96
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propyl 2-[(4-chlorophenyl)carbamoyl]-4-[3-(furan-2-yl)benzoyl]piperazine-1-carboxylate with MolForge

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Related Compounds

N-(4-chlorophenyl)-4-[3-(furan-2-yl)benzoyl]-1-(4-methoxybenzoyl)piperazine-2-carboxamide
CID 121317941
1-[3-(furan-2-yl)benzoyl]-5-methoxy-N-(4-methylphenyl)piperidine-3-carboxamide
CID 121354959
[3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 168524923
5-(benzylamino)-1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 121354972
ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate
CID 71690378
[3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70755983
3-fluoro-1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 121354946
propyl (2S)-2-amino-4-[4-chloro-2-[3-(dimethylamino)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate
CID 163638474
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193
butyl 4-(3-chlorobenzoyl)piperazine-1-carboxylate
CID 108567983
2-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide
CID 175751261

Frequently Asked Questions

What is the IUPAC name of propyl 2-[(4-chlorophenyl)carbamoyl]-4-[3-(furan-2-yl)benzoyl]piperazine-1-carboxylate?
The IUPAC name of propyl 2-[(4-chlorophenyl)carbamoyl]-4-[3-(furan-2-yl)benzoyl]piperazine-1-carboxylate (CID 121318066) is propyl 2-[(4-chlorophenyl)carbamoyl]-4-[3-(furan-2-yl)benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for propyl 2-[(4-chlorophenyl)carbamoyl]-4-[3-(furan-2-yl)benzoyl]piperazine-1-carboxylate?
The canonical SMILES for propyl 2-[(4-chlorophenyl)carbamoyl]-4-[3-(furan-2-yl)benzoyl]piperazine-1-carboxylate is CCCOC(=O)N1CCN(C(=O)c2cccc(-c3ccco3)c2)CC1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of propyl 2-[(4-chlorophenyl)carbamoyl]-4-[3-(furan-2-yl)benzoyl]piperazine-1-carboxylate?
The InChIKey is PCOQAWVTQWUOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O5/c1-2-14-35-26(33)30-13-12-29(17-22(30)24(31)28-21-10-8-20(27)9-11-21)25(32)19-6-3-5-18(16-19)23-7-4-15-34-23/h3-11,15-16,22H,2,12-14,17H2,1H3,(H,28,31).
What are the key properties of propyl 2-[(4-chlorophenyl)carbamoyl]-4-[3-(furan-2-yl)benzoyl]piperazine-1-carboxylate?
propyl 2-[(4-chlorophenyl)carbamoyl]-4-[3-(furan-2-yl)benzoyl]piperazine-1-carboxylate has a molecular weight of 495.96 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[(4-chlorophenyl)carbamoyl]-4-[3-(furan-2-yl)benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 121318066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).