N-(3-methylbutyl)-3-(2-oxo-4-piperidin-1-yl-1-pyridinyl)propanamide

C18H29N3O2 — CID 155806622

IUPACN-(3-methylbutyl)-3-(2-oxo-4-piperidin-1-yl-1-pyridinyl)propanamide
SMILESCC(C)CCNC(=O)CCn1ccc(N2CCCCC2)cc1=O
InChIInChI=1S/C18H29N3O2/c1-15(2)6-9-19-17(22)8-13-21-12-7-16(14-18(21)23)20-10-4-3-5-11-20/h7,12,14-15H,3-6,8-11,13H2,1-2H3,(H,19,22)
InChIKeyAAPUDTVCMOFNOW-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.39
Rot. Bonds7

About N-(3-methylbutyl)-3-(2-oxo-4-piperidin-1-yl-1-pyridinyl)propanamide

N-(3-methylbutyl)-3-(2-oxo-4-piperidin-1-yl-1-pyridinyl)propanamide (PubChem CID 155806622) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(2-oxo-4-piperidin-1-yl-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(2-oxo-4-piperidin-1-yl-1-pyridinyl)propanamide
PubChem CID155806622
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-(3-methylbutyl)-3-(2-oxo-4-piperidin-1-yl-1-pyridinyl)propanamide
SMILESCC(C)CCNC(=O)CCn1ccc(N2CCCCC2)cc1=O
InChIInChI=1S/C18H29N3O2/c1-15(2)6-9-19-17(22)8-13-21-12-7-16(14-18(21)23)20-10-4-3-5-11-20/h7,12,14-15H,3-6,8-11,13H2,1-2H3,(H,19,22)
InChIKeyAAPUDTVCMOFNOW-UHFFFAOYSA-N
XLogP2.39
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(piperidin-3-ylmethyl)pyridin-2(1H)-one
CID 44410533
N-(3-methylbutyl)-2-(2-oxo-4-piperidin-1-yl-1-pyridinyl)acetamide
CID 90670068
1-(2-methylpropyl)-2-oxo-N-[(3S)-piperidin-3-yl]pyridine-3-carboxamide
CID 177658688
N-[(3S)-1-methylpiperidin-3-yl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide
CID 177663696
N-(1-methylpiperidin-4-yl)-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide
CID 177665074
1-(2-methylpropyl)-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide
CID 177665727
4-(4-Oxopiperidin-1-yl)-1,2-dihydropyridin-2-one
CID 66612298
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-2-hydroxynicotinamide
CID 132227758
[1-(2-oxo-1H-pyridin-4-yl)piperidin-4-yl]methylcarbamic acid
CID 22052353
4-Aminomethyl-3,4,5,6-tetrahydro-2H-[1,4']bipyridinyl-2'-ol
CID 22052467
N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide
CID 54862491
4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-4-carboxamide
CID 63122298

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(2-oxo-4-piperidin-1-yl-1-pyridinyl)propanamide?
The IUPAC name of N-(3-methylbutyl)-3-(2-oxo-4-piperidin-1-yl-1-pyridinyl)propanamide (CID 155806622) is N-(3-methylbutyl)-3-(2-oxo-4-piperidin-1-yl-1-pyridinyl)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(2-oxo-4-piperidin-1-yl-1-pyridinyl)propanamide?
The canonical SMILES for N-(3-methylbutyl)-3-(2-oxo-4-piperidin-1-yl-1-pyridinyl)propanamide is CC(C)CCNC(=O)CCn1ccc(N2CCCCC2)cc1=O.
What is the InChIKey of N-(3-methylbutyl)-3-(2-oxo-4-piperidin-1-yl-1-pyridinyl)propanamide?
The InChIKey is AAPUDTVCMOFNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-15(2)6-9-19-17(22)8-13-21-12-7-16(14-18(21)23)20-10-4-3-5-11-20/h7,12,14-15H,3-6,8-11,13H2,1-2H3,(H,19,22).
What are the key properties of N-(3-methylbutyl)-3-(2-oxo-4-piperidin-1-yl-1-pyridinyl)propanamide?
N-(3-methylbutyl)-3-(2-oxo-4-piperidin-1-yl-1-pyridinyl)propanamide has a molecular weight of 319.45 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(2-oxo-4-piperidin-1-yl-1-pyridinyl)propanamide is sourced from PubChem (CID 155806622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).