(3S)-N-ethyl-1-(3-ethylpyridine-4-carbonyl)piperidine-3-carboxamide

C16H23N3O2 — CID 97336628

IUPAC(3S)-N-ethyl-1-(3-ethylpyridine-4-carbonyl)piperidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCCN(C(=O)c2ccncc2CC)C1
InChIInChI=1S/C16H23N3O2/c1-3-12-10-17-8-7-14(12)16(21)19-9-5-6-13(11-19)15(20)18-4-2/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyJBNFUVMXRGKTOF-ZDUSSCGKSA-N
MW289.38 g/mol
LogP1.63
Rot. Bonds4

About (3S)-N-ethyl-1-(3-ethylpyridine-4-carbonyl)piperidine-3-carboxamide

(3S)-N-ethyl-1-(3-ethylpyridine-4-carbonyl)piperidine-3-carboxamide (PubChem CID 97336628) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (3S)-N-ethyl-1-(3-ethylpyridine-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-1-(3-ethylpyridine-4-carbonyl)piperidine-3-carboxamide
PubChem CID97336628
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(3S)-N-ethyl-1-(3-ethylpyridine-4-carbonyl)piperidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCCN(C(=O)c2ccncc2CC)C1
InChIInChI=1S/C16H23N3O2/c1-3-12-10-17-8-7-14(12)16(21)19-9-5-6-13(11-19)15(20)18-4-2/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyJBNFUVMXRGKTOF-ZDUSSCGKSA-N
XLogP1.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide
CID 71977836
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
N-[2-(methylamino)ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 119500246
(3-ethyl-4-pyridinyl)-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129346899
N-ethyl-1-(2-methoxyquinoline-3-carbonyl)piperidine-3-carboxamide
CID 155959941
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
(3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 816617
N-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 119429825
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-1-(3-ethylpyridine-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-ethyl-1-(3-ethylpyridine-4-carbonyl)piperidine-3-carboxamide (CID 97336628) is (3S)-N-ethyl-1-(3-ethylpyridine-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-1-(3-ethylpyridine-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-ethyl-1-(3-ethylpyridine-4-carbonyl)piperidine-3-carboxamide is CCNC(=O)[C@H]1CCCN(C(=O)c2ccncc2CC)C1.
What is the InChIKey of (3S)-N-ethyl-1-(3-ethylpyridine-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is JBNFUVMXRGKTOF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-12-10-17-8-7-14(12)16(21)19-9-5-6-13(11-19)15(20)18-4-2/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (3S)-N-ethyl-1-(3-ethylpyridine-4-carbonyl)piperidine-3-carboxamide?
(3S)-N-ethyl-1-(3-ethylpyridine-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-1-(3-ethylpyridine-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 97336628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).