(3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide

C21H30N2O2 — CID 93328137

IUPAC(3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CC[C@H](c2cccc(C)c2)N(C(=O)C2CCCC2)C1
InChIInChI=1S/C21H30N2O2/c1-3-22-20(24)18-11-12-19(17-10-6-7-15(2)13-17)23(14-18)21(25)16-8-4-5-9-16/h6-7,10,13,16,18-19H,3-5,8-9,11-12,14H2,1-2H3,(H,22,24)/t18-,19+/m0/s1
InChIKeyPOZRIPFKTYCNME-RBUKOAKNSA-N
MW342.48 g/mol
LogP3.60
Rot. Bonds4

About (3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide

(3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide (PubChem CID 93328137) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is (3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
PubChem CID93328137
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name(3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CC[C@H](c2cccc(C)c2)N(C(=O)C2CCCC2)C1
InChIInChI=1S/C21H30N2O2/c1-3-22-20(24)18-11-12-19(17-10-6-7-15(2)13-17)23(14-18)21(25)16-8-4-5-9-16/h6-7,10,13,16,18-19H,3-5,8-9,11-12,14H2,1-2H3,(H,22,24)/t18-,19+/m0/s1
InChIKeyPOZRIPFKTYCNME-RBUKOAKNSA-N
XLogP3.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328136
(3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328301
(3R,6R)-1-(cyclopentanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide
CID 92998904
1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 42868383
[(2S,5R)-5-(4-benzylpiperidine-1-carbonyl)-2-(3-methylphenyl)piperidin-1-yl]-cyclopentylmethanone
CID 92998907
1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42849629
(3S,6R)-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92996775
(3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
CID 93001653
(3S,6R)-3-N-benzyl-1-N-butyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 93328595
6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 46071991
(3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 93001712
6-(3-methylphenyl)-1-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 42849641

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide (CID 93328137) is (3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide is CCNC(=O)[C@H]1CC[C@H](c2cccc(C)c2)N(C(=O)C2CCCC2)C1.
What is the InChIKey of (3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is POZRIPFKTYCNME-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-3-22-20(24)18-11-12-19(17-10-6-7-15(2)13-17)23(14-18)21(25)16-8-4-5-9-16/h6-7,10,13,16,18-19H,3-5,8-9,11-12,14H2,1-2H3,(H,22,24)/t18-,19+/m0/s1.
What are the key properties of (3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide?
(3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 93328137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).