(3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

C20H24N2O2S — CID 94082845

IUPAC(3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCc3cccs3)C2)c1
InChIInChI=1S/C20H24N2O2S/c1-14-9-15(2)11-17(10-14)20(24)22-7-3-5-16(13-22)19(23)21-12-18-6-4-8-25-18/h4,6,8-11,16H,3,5,7,12-13H2,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyLHBVAEOMTLEBGZ-MRXNPFEDSA-N
MW356.49 g/mol
LogP3.53
Rot. Bonds4

About (3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

(3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 94082845) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is (3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID94082845
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name(3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCc3cccs3)C2)c1
InChIInChI=1S/C20H24N2O2S/c1-14-9-15(2)11-17(10-14)20(24)22-7-3-5-16(13-22)19(23)21-12-18-6-4-8-25-18/h4,6,8-11,16H,3,5,7,12-13H2,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyLHBVAEOMTLEBGZ-MRXNPFEDSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119500647
1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46488775
(3S)-1-(3,5-dimethylbenzoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 51959451
(3R)-1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 7435297
(3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082808
N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 71941255
N-[(3,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55792149
(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010550
1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 55794251
(3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94010780
1-(3,5-dimethylbenzoyl)-N-(2-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 55791695

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 94082845) is (3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCc3cccs3)C2)c1.
What is the InChIKey of (3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is LHBVAEOMTLEBGZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-14-9-15(2)11-17(10-14)20(24)22-7-3-5-16(13-22)19(23)21-12-18-6-4-8-25-18/h4,6,8-11,16H,3,5,7,12-13H2,1-2H3,(H,21,23)/t16-/m1/s1.
What are the key properties of (3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
(3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 94082845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).