[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone

C21H31N3O2 — CID 40585097

IUPAC[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
SMILESCC[C@H]1CCCCN1C(=O)c1cccc(C(=O)N2CCCC[C@@H]2CC)n1
InChIInChI=1S/C21H31N3O2/c1-3-16-10-5-7-14-23(16)20(25)18-12-9-13-19(22-18)21(26)24-15-8-6-11-17(24)4-2/h9,12-13,16-17H,3-8,10-11,14-15H2,1-2H3/t16-,17-/m0/s1
InChIKeyMTONXEBONWNCBS-IRXDYDNUSA-N
MW357.50 g/mol
LogP3.89
Rot. Bonds4

About [6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone

[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone (PubChem CID 40585097) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is [6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
PubChem CID40585097
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
SMILESCC[C@H]1CCCCN1C(=O)c1cccc(C(=O)N2CCCC[C@@H]2CC)n1
InChIInChI=1S/C21H31N3O2/c1-3-16-10-5-7-14-23(16)20(25)18-12-9-13-19(22-18)21(26)24-15-8-6-11-17(24)4-2/h9,12-13,16-17H,3-8,10-11,14-15H2,1-2H3/t16-,17-/m0/s1
InChIKeyMTONXEBONWNCBS-IRXDYDNUSA-N
XLogP3.89
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylpiperidin-1-yl)-(6-hydrazinyl-2-pyridinyl)methanone
CID 62242086
N-ethyl-6-(2-ethylpiperidine-1-carbonyl)-N-phenylpyridine-2-carboxamide
CID 109099642
N-(2,6-dimethylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109099638
N-(2-tert-butylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109099646
N-(3-chloro-4-methylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109099656
6-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109098541
6-(2-ethylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid
CID 104691187
(2-ethylpiperidin-1-yl)-[6-(naphthalen-1-yloxymethyl)-2-pyridinyl]methanone
CID 58210556
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[2-(azepan-1-yl)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109312558
N-(2,5-dimethoxyphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109099666
[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 58211679

Frequently Asked Questions

What is the IUPAC name of [6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone?
The IUPAC name of [6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone (CID 40585097) is [6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone.
What is the SMILES notation for [6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone?
The canonical SMILES for [6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone is CC[C@H]1CCCCN1C(=O)c1cccc(C(=O)N2CCCC[C@@H]2CC)n1.
What is the InChIKey of [6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone?
The InChIKey is MTONXEBONWNCBS-IRXDYDNUSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-3-16-10-5-7-14-23(16)20(25)18-12-9-13-19(22-18)21(26)24-15-8-6-11-17(24)4-2/h9,12-13,16-17H,3-8,10-11,14-15H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of [6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone?
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone has a molecular weight of 357.50 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone is sourced from PubChem (CID 40585097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).