2-methyl-4-(1-pyridin-4-ylpiperidin-4-yl)butanamide

C15H23N3O — CID 140553160

IUPAC2-methyl-4-(1-pyridin-4-ylpiperidin-4-yl)butanamide
SMILESCC(CCC1CCN(c2ccncc2)CC1)C(N)=O
InChIInChI=1S/C15H23N3O/c1-12(15(16)19)2-3-13-6-10-18(11-7-13)14-4-8-17-9-5-14/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H2,16,19)
InChIKeyBHKCXMGCUCNACJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.20
Rot. Bonds5

About 2-methyl-4-(1-pyridin-4-ylpiperidin-4-yl)butanamide

2-methyl-4-(1-pyridin-4-ylpiperidin-4-yl)butanamide (PubChem CID 140553160) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-4-(1-pyridin-4-ylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name2-methyl-4-(1-pyridin-4-ylpiperidin-4-yl)butanamide
PubChem CID140553160
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-methyl-4-(1-pyridin-4-ylpiperidin-4-yl)butanamide
SMILESCC(CCC1CCN(c2ccncc2)CC1)C(N)=O
InChIInChI=1S/C15H23N3O/c1-12(15(16)19)2-3-13-6-10-18(11-7-13)14-4-8-17-9-5-14/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H2,16,19)
InChIKeyBHKCXMGCUCNACJ-UHFFFAOYSA-N
XLogP2.20
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]butanoic acid;dihydrochloride
CID 174366852
(2R)-2-amino-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]butanamide
CID 99697299
N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263499
N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107650
2-(1-pyridin-4-ylpiperidin-4-yl)acetate
CID 18918250
2-(1-pyridin-4-ylpiperidin-4-yl)acetyl chloride;hydrochloride
CID 22721805
3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 83981421
(2S)-2-methyl-3-(1-methylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 129094175
2-(1-pyridin-4-ylpyrrolidin-3-yl)ethanamine
CID 83618668
[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol
CID 129367724
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
N-butan-2-yl-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384683

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-pyridin-4-ylpiperidin-4-yl)butanamide?
The IUPAC name of 2-methyl-4-(1-pyridin-4-ylpiperidin-4-yl)butanamide (CID 140553160) is 2-methyl-4-(1-pyridin-4-ylpiperidin-4-yl)butanamide.
What is the SMILES notation for 2-methyl-4-(1-pyridin-4-ylpiperidin-4-yl)butanamide?
The canonical SMILES for 2-methyl-4-(1-pyridin-4-ylpiperidin-4-yl)butanamide is CC(CCC1CCN(c2ccncc2)CC1)C(N)=O.
What is the InChIKey of 2-methyl-4-(1-pyridin-4-ylpiperidin-4-yl)butanamide?
The InChIKey is BHKCXMGCUCNACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(15(16)19)2-3-13-6-10-18(11-7-13)14-4-8-17-9-5-14/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H2,16,19).
What are the key properties of 2-methyl-4-(1-pyridin-4-ylpiperidin-4-yl)butanamide?
2-methyl-4-(1-pyridin-4-ylpiperidin-4-yl)butanamide has a molecular weight of 261.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-pyridin-4-ylpiperidin-4-yl)butanamide is sourced from PubChem (CID 140553160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).