4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide

C17H25N3O2 — CID 110620637

IUPAC4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide
SMILESCC(CNC(=O)CCC(=O)c1cccnc1)N1CCCCC1
InChIInChI=1S/C17H25N3O2/c1-14(20-10-3-2-4-11-20)12-19-17(22)8-7-16(21)15-6-5-9-18-13-15/h5-6,9,13-14H,2-4,7-8,10-12H2,1H3,(H,19,22)
InChIKeyMFIKBKCTWANAMM-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.04
Rot. Bonds7

About 4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide

4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide (PubChem CID 110620637) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide
PubChem CID110620637
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide
SMILESCC(CNC(=O)CCC(=O)c1cccnc1)N1CCCCC1
InChIInChI=1S/C17H25N3O2/c1-14(20-10-3-2-4-11-20)12-19-17(22)8-7-16(21)15-6-5-9-18-13-15/h5-6,9,13-14H,2-4,7-8,10-12H2,1H3,(H,19,22)
InChIKeyMFIKBKCTWANAMM-UHFFFAOYSA-N
XLogP2.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide
CID 93157610
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110622094
N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110621715
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110631539
N-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110612486
N-(2-morpholin-4-ylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110408170
tert-butyl N-[4-methyl-1-[(4-oxo-4-pyridin-3-ylbutanoyl)amino]pentan-2-yl]carbamate
CID 110627515
2-(2-hydroxyphenyl)-N-(2-piperidin-1-ylpropyl)acetamide
CID 78916880
3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide
CID 110620539
4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide
CID 110304051
3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide
CID 95284101
2-anilino-N-(2-piperidin-1-ylpropyl)acetamide
CID 61018467

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide?
The IUPAC name of 4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide (CID 110620637) is 4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide.
What is the SMILES notation for 4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide?
The canonical SMILES for 4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide is CC(CNC(=O)CCC(=O)c1cccnc1)N1CCCCC1.
What is the InChIKey of 4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide?
The InChIKey is MFIKBKCTWANAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-14(20-10-3-2-4-11-20)12-19-17(22)8-7-16(21)15-6-5-9-18-13-15/h5-6,9,13-14H,2-4,7-8,10-12H2,1H3,(H,19,22).
What are the key properties of 4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide?
4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide has a molecular weight of 303.41 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110620637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).