N-(3-ethyl-4-pyridinyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide

C18H27N3O2 — CID 136513896

IUPACN-(3-ethyl-4-pyridinyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
SMILESCCc1cnccc1NC(=O)C(CC(C)C)N1CCCCC1=O
InChIInChI=1S/C18H27N3O2/c1-4-14-12-19-9-8-15(14)20-18(23)16(11-13(2)3)21-10-6-5-7-17(21)22/h8-9,12-13,16H,4-7,10-11H2,1-3H3,(H,19,20,23)
InChIKeyJVHICTAXRILLSE-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.01
Rot. Bonds6

About N-(3-ethyl-4-pyridinyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide

N-(3-ethyl-4-pyridinyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide (PubChem CID 136513896) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(3-ethyl-4-pyridinyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide.

Molecular Properties

Compound NameN-(3-ethyl-4-pyridinyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
PubChem CID136513896
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(3-ethyl-4-pyridinyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
SMILESCCc1cnccc1NC(=O)C(CC(C)C)N1CCCCC1=O
InChIInChI=1S/C18H27N3O2/c1-4-14-12-19-9-8-15(14)20-18(23)16(11-13(2)3)21-10-6-5-7-17(21)22/h8-9,12-13,16H,4-7,10-11H2,1-3H3,(H,19,20,23)
InChIKeyJVHICTAXRILLSE-UHFFFAOYSA-N
XLogP3.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methoxyphenyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
CID 119420343
(2R)-4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-oxopiperidin-1-yl)pentanamide
CID 97051485
(2S)-4-methyl-2-(2-oxopiperidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pentanamide
CID 97051415
(2R)-4-methyl-2-(2-oxopiperidin-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pentanamide
CID 97051412
N-(2-bromoprop-2-enyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
CID 75425497
N-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
CID 119478575
N-(2-amino-2-phenylethyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride
CID 119529433
4-methyl-2-(2-oxopiperidin-1-yl)-N-piperidin-3-ylpentanamide
CID 119428669
N-(1-aminohexan-2-yl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride
CID 119668332
4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide
CID 75425524
N,4-dimethyl-2-(2-oxopiperidin-1-yl)-N-(1H-pyrazol-4-yl)pentanamide
CID 84587064
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide
CID 7067644

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-pyridinyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide?
The IUPAC name of N-(3-ethyl-4-pyridinyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide (CID 136513896) is N-(3-ethyl-4-pyridinyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide.
What is the SMILES notation for N-(3-ethyl-4-pyridinyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide?
The canonical SMILES for N-(3-ethyl-4-pyridinyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide is CCc1cnccc1NC(=O)C(CC(C)C)N1CCCCC1=O.
What is the InChIKey of N-(3-ethyl-4-pyridinyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide?
The InChIKey is JVHICTAXRILLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-14-12-19-9-8-15(14)20-18(23)16(11-13(2)3)21-10-6-5-7-17(21)22/h8-9,12-13,16H,4-7,10-11H2,1-3H3,(H,19,20,23).
What are the key properties of N-(3-ethyl-4-pyridinyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide?
N-(3-ethyl-4-pyridinyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide has a molecular weight of 317.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-pyridinyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide is sourced from PubChem (CID 136513896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).