1-(4-chlorobenzoyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide

C27H29ClN2O2S — CID 46655706

IUPAC1-(4-chlorobenzoyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
SMILESCCCc1ccc(C(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2cccs2)cc1
InChIInChI=1S/C27H29ClN2O2S/c1-2-4-19-6-8-20(9-7-19)25(24-5-3-18-33-24)29-26(31)21-14-16-30(17-15-21)27(32)22-10-12-23(28)13-11-22/h3,5-13,18,21,25H,2,4,14-17H2,1H3,(H,29,31)
InChIKeyYOWWFTGVNWZGGY-UHFFFAOYSA-N
MW481.06 g/mol
LogP6.11
Rot. Bonds7

About 1-(4-chlorobenzoyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide (PubChem CID 46655706) has the molecular formula C27H29ClN2O2S and a molecular weight of 481.06 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
PubChem CID46655706
Molecular FormulaC27H29ClN2O2S
Molecular Weight481.06 g/mol
Exact Mass480.16
IUPAC Name1-(4-chlorobenzoyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
SMILESCCCc1ccc(C(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2cccs2)cc1
InChIInChI=1S/C27H29ClN2O2S/c1-2-4-19-6-8-20(9-7-19)25(24-5-3-18-33-24)29-26(31)21-14-16-30(17-15-21)27(32)22-10-12-23(28)13-11-22/h3,5-13,18,21,25H,2,4,14-17H2,1H3,(H,29,31)
InChIKeyYOWWFTGVNWZGGY-UHFFFAOYSA-N
XLogP6.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.06
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55751666
1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
CID 41441647
N-[2-(4-chlorophenyl)ethyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide
CID 134801850
N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 32842579
1-(3,5-dimethoxybenzoyl)-N-[phenyl(thiophen-2-yl)methyl]piperidine-4-carboxamide
CID 46472551
1-(2,2-dimethylpropanoyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-4-carboxamide
CID 55454351
1-(4-chlorobenzoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 8751751
1-(4-chlorobenzoyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 1326341
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736196
(2S,5R)-5-(aminomethyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]oxolane-2-carboxamide
CID 120784650
1-(4-bromobenzoyl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-4-carboxamide
CID 25387932
(3S)-1-(4-chlorobenzoyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 31109673

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide (CID 46655706) is 1-(4-chlorobenzoyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide is CCCc1ccc(C(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2cccs2)cc1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide?
The InChIKey is YOWWFTGVNWZGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O2S/c1-2-4-19-6-8-20(9-7-19)25(24-5-3-18-33-24)29-26(31)21-14-16-30(17-15-21)27(32)22-10-12-23(28)13-11-22/h3,5-13,18,21,25H,2,4,14-17H2,1H3,(H,29,31).
What are the key properties of 1-(4-chlorobenzoyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide has a molecular weight of 481.06 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46655706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).