1-(4-chlorobenzoyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide

C27H29ClN2O2S — CID 46823952

IUPAC1-(4-chlorobenzoyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C27H29ClN2O2S/c1-20-7-12-25(33-20)19-30(16-13-21-5-3-2-4-6-21)27(32)23-14-17-29(18-15-23)26(31)22-8-10-24(28)11-9-22/h2-12,23H,13-19H2,1H3
InChIKeyCNNNNTDYTGSHAQ-UHFFFAOYSA-N
MW481.06 g/mol
LogP5.83
Rot. Bonds7

About 1-(4-chlorobenzoyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 46823952) has the molecular formula C27H29ClN2O2S and a molecular weight of 481.06 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID46823952
Molecular FormulaC27H29ClN2O2S
Molecular Weight481.06 g/mol
Exact Mass480.16
IUPAC Name1-(4-chlorobenzoyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C27H29ClN2O2S/c1-20-7-12-25(33-20)19-30(16-13-21-5-3-2-4-6-21)27(32)23-14-17-29(18-15-23)26(31)22-8-10-24(28)11-9-22/h2-12,23H,13-19H2,1H3
InChIKeyCNNNNTDYTGSHAQ-UHFFFAOYSA-N
XLogP5.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.06
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119691845
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide
CID 17119192
N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119241
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-chloro-N-cyclopropylbenzamide
CID 1059812
1-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide
CID 17119178
2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid
CID 119347235
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 1059817
N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 46822995
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55390614
4-N-(2-aminoethyl)-1-N,1-N-dimethyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 120885596
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119691858

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide (CID 46823952) is 1-(4-chlorobenzoyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide is Cc1ccc(CN(CCc2ccccc2)C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is CNNNNTDYTGSHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O2S/c1-20-7-12-25(33-20)19-30(16-13-21-5-3-2-4-6-21)27(32)23-14-17-29(18-15-23)26(31)22-8-10-24(28)11-9-22/h2-12,23H,13-19H2,1H3.
What are the key properties of 1-(4-chlorobenzoyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 481.06 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46823952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).