(3R,5S)-1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C26H33N3O2 — CID 92995377

IUPAC(3R,5S)-1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCCc1ccc([C@@H]2C[C@@H](C(=O)NCc3cccnc3)CN(C(=O)C3CCCC3)C2)cc1
InChIInChI=1S/C26H33N3O2/c1-2-19-9-11-21(12-10-19)23-14-24(25(30)28-16-20-6-5-13-27-15-20)18-29(17-23)26(31)22-7-3-4-8-22/h5-6,9-13,15,22-24H,2-4,7-8,14,16-18H2,1H3,(H,28,30)/t23-,24-/m1/s1
InChIKeyIEBGPTDRRMZPJL-DNQXCXABSA-N
MW419.57 g/mol
LogP4.08
Rot. Bonds6

About (3R,5S)-1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

(3R,5S)-1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 92995377) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is (3R,5S)-1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID92995377
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name(3R,5S)-1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCCc1ccc([C@@H]2C[C@@H](C(=O)NCc3cccnc3)CN(C(=O)C3CCCC3)C2)cc1
InChIInChI=1S/C26H33N3O2/c1-2-19-9-11-21(12-10-19)23-14-24(25(30)28-16-20-6-5-13-27-15-20)18-29(17-23)26(31)22-7-3-4-8-22/h5-6,9-13,15,22-24H,2-4,7-8,14,16-18H2,1H3,(H,28,30)/t23-,24-/m1/s1
InChIKeyIEBGPTDRRMZPJL-DNQXCXABSA-N
XLogP4.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5R)-1-(cyclopentanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 92996862
1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 42865370
1-N-ethyl-5-phenyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 42865475
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
(3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994779
(3S,5S)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994782
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
1-N,1-N-dimethyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 47028623
6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 46065283
ethyl 1-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 46065240
N-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 46065112
(3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92996848

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 92995377) is (3R,5S)-1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is CCc1ccc([C@@H]2C[C@@H](C(=O)NCc3cccnc3)CN(C(=O)C3CCCC3)C2)cc1.
What is the InChIKey of (3R,5S)-1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is IEBGPTDRRMZPJL-DNQXCXABSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-2-19-9-11-21(12-10-19)23-14-24(25(30)28-16-20-6-5-13-27-15-20)18-29(17-23)26(31)22-7-3-4-8-22/h5-6,9-13,15,22-24H,2-4,7-8,14,16-18H2,1H3,(H,28,30)/t23-,24-/m1/s1.
What are the key properties of (3R,5S)-1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
(3R,5S)-1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 92995377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).