(3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide

C18H28N4O — CID 94824323

IUPAC(3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide
SMILESCCN1CCC(NC(=O)[C@H]2CCCN(c3ccccn3)C2)CC1
InChIInChI=1S/C18H28N4O/c1-2-21-12-8-16(9-13-21)20-18(23)15-6-5-11-22(14-15)17-7-3-4-10-19-17/h3-4,7,10,15-16H,2,5-6,8-9,11-14H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyCYLGVZGRHNCVJU-HNNXBMFYSA-N
MW316.45 g/mol
LogP1.90
Rot. Bonds4

About (3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide

(3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 94824323) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID94824323
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide
SMILESCCN1CCC(NC(=O)[C@H]2CCCN(c3ccccn3)C2)CC1
InChIInChI=1S/C18H28N4O/c1-2-21-12-8-16(9-13-21)20-18(23)15-6-5-11-22(14-15)17-7-3-4-10-19-17/h3-4,7,10,15-16H,2,5-6,8-9,11-14H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyCYLGVZGRHNCVJU-HNNXBMFYSA-N
XLogP1.90
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
(3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51934536
N-[4-(3,5-difluorophenoxy)cyclohexyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 175643881
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
(3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 124839677
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
(3R)-N-(3,5-dimethylphenyl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 51962224
N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
1-propyl-N-(1-pyridin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 86844344
(3R)-N-[1-(methoxymethyl)cyclopentyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 95204110
N-[1-ethyl-4-(methylcarbamoyl)pyrazol-5-yl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 155909318

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide (CID 94824323) is (3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide is CCN1CCC(NC(=O)[C@H]2CCCN(c3ccccn3)C2)CC1.
What is the InChIKey of (3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is CYLGVZGRHNCVJU-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-2-21-12-8-16(9-13-21)20-18(23)15-6-5-11-22(14-15)17-7-3-4-10-19-17/h3-4,7,10,15-16H,2,5-6,8-9,11-14H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of (3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide?
(3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 94824323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).