(3S,6R)-N-benzyl-N-methyl-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide

C26H28N2O2S — CID 93000774

IUPAC(3S,6R)-N-benzyl-N-methyl-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@H]1CC[C@H](c2ccccc2)N(C(=O)Cc2cccs2)C1
InChIInChI=1S/C26H28N2O2S/c1-27(18-20-9-4-2-5-10-20)26(30)22-14-15-24(21-11-6-3-7-12-21)28(19-22)25(29)17-23-13-8-16-31-23/h2-13,16,22,24H,14-15,17-19H2,1H3/t22-,24+/m0/s1
InChIKeyYPHGBBIORDRNMP-LADGPHEKSA-N
MW432.59 g/mol
LogP4.93
Rot. Bonds6

About (3S,6R)-N-benzyl-N-methyl-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide

(3S,6R)-N-benzyl-N-methyl-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide (PubChem CID 93000774) has the molecular formula C26H28N2O2S and a molecular weight of 432.59 g/mol. Its IUPAC name is (3S,6R)-N-benzyl-N-methyl-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6R)-N-benzyl-N-methyl-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
PubChem CID93000774
Molecular FormulaC26H28N2O2S
Molecular Weight432.59 g/mol
Exact Mass432.19
IUPAC Name(3S,6R)-N-benzyl-N-methyl-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@H]1CC[C@H](c2ccccc2)N(C(=O)Cc2cccs2)C1
InChIInChI=1S/C26H28N2O2S/c1-27(18-20-9-4-2-5-10-20)26(30)22-14-15-24(21-11-6-3-7-12-21)28(19-22)25(29)17-23-13-8-16-31-23/h2-13,16,22,24H,14-15,17-19H2,1H3/t22-,24+/m0/s1
InChIKeyYPHGBBIORDRNMP-LADGPHEKSA-N
XLogP4.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
CID 46071643
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70761404
N-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
CID 42869831
3-N-benzyl-1-N-ethyl-3-N-methyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42849636
N-benzyl-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide
CID 71955058
1-[2-(4-methylphenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 50747412
4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 54928756
1-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)-2-thiophen-2-ylethanone
CID 110316322
1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109147881
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
N-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119267119
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-N-benzyl-N-methyl-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide?
The IUPAC name of (3S,6R)-N-benzyl-N-methyl-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide (CID 93000774) is (3S,6R)-N-benzyl-N-methyl-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,6R)-N-benzyl-N-methyl-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,6R)-N-benzyl-N-methyl-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide is CN(Cc1ccccc1)C(=O)[C@H]1CC[C@H](c2ccccc2)N(C(=O)Cc2cccs2)C1.
What is the InChIKey of (3S,6R)-N-benzyl-N-methyl-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide?
The InChIKey is YPHGBBIORDRNMP-LADGPHEKSA-N. The full InChI is InChI=1S/C26H28N2O2S/c1-27(18-20-9-4-2-5-10-20)26(30)22-14-15-24(21-11-6-3-7-12-21)28(19-22)25(29)17-23-13-8-16-31-23/h2-13,16,22,24H,14-15,17-19H2,1H3/t22-,24+/m0/s1.
What are the key properties of (3S,6R)-N-benzyl-N-methyl-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide?
(3S,6R)-N-benzyl-N-methyl-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide has a molecular weight of 432.59 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-N-benzyl-N-methyl-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 93000774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).