1-(5-chloro-2-methoxybenzoyl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C26H27ClN2O4S — CID 55622862

IUPAC1-(5-chloro-2-methoxybenzoyl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)C2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)cc1
InChIInChI=1S/C26H27ClN2O4S/c1-32-21-8-6-20(7-9-21)29(17-22-4-3-15-34-22)25(30)18-11-13-28(14-12-18)26(31)23-16-19(27)5-10-24(23)33-2/h3-10,15-16,18H,11-14,17H2,1-2H3
InChIKeyGDUAJBWBRCRNOQ-UHFFFAOYSA-N
MW499.03 g/mol
LogP5.50
Rot. Bonds7

About 1-(5-chloro-2-methoxybenzoyl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-(5-chloro-2-methoxybenzoyl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 55622862) has the molecular formula C26H27ClN2O4S and a molecular weight of 499.03 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxybenzoyl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxybenzoyl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID55622862
Molecular FormulaC26H27ClN2O4S
Molecular Weight499.03 g/mol
Exact Mass498.14
IUPAC Name1-(5-chloro-2-methoxybenzoyl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)C2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)cc1
InChIInChI=1S/C26H27ClN2O4S/c1-32-21-8-6-20(7-9-21)29(17-22-4-3-15-34-22)25(30)18-11-13-28(14-12-18)26(31)23-16-19(27)5-10-24(23)33-2/h3-10,15-16,18H,11-14,17H2,1-2H3
InChIKeyGDUAJBWBRCRNOQ-UHFFFAOYSA-N
XLogP5.50
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.03
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55757398
1-(5-chloro-2-methoxybenzoyl)-N-cyclopropyl-N-methylpiperidine-4-carboxamide
CID 55627034
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
N-(4-carbamoylphenyl)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 55903833
(3S)-1-cyclopentyl-N-(4-methoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 9119491
cis-(1R,2S)-2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129467519
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone
CID 108546186
[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56511112
(2R)-N-(4-methoxyphenyl)-4-methyl-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
CID 124508136
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918037

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 55622862) is 1-(5-chloro-2-methoxybenzoyl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxybenzoyl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxybenzoyl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is COc1ccc(N(Cc2cccs2)C(=O)C2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)cc1.
What is the InChIKey of 1-(5-chloro-2-methoxybenzoyl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is GDUAJBWBRCRNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O4S/c1-32-21-8-6-20(7-9-21)29(17-22-4-3-15-34-22)25(30)18-11-13-28(14-12-18)26(31)23-16-19(27)5-10-24(23)33-2/h3-10,15-16,18H,11-14,17H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxybenzoyl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-(5-chloro-2-methoxybenzoyl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 499.03 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxybenzoyl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55622862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).