1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone

C16H24N2O — CID 159270457

IUPAC1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone
SMILESCC(C)N1CCC(C)(C(=O)Cc2ccccn2)CC1
InChIInChI=1S/C16H24N2O/c1-13(2)18-10-7-16(3,8-11-18)15(19)12-14-6-4-5-9-17-14/h4-6,9,13H,7-8,10-12H2,1-3H3
InChIKeyIUHFOZMCRJRDDV-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.70
Rot. Bonds4

About 1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone

1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone (PubChem CID 159270457) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone
PubChem CID159270457
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone
SMILESCC(C)N1CCC(C)(C(=O)Cc2ccccn2)CC1
InChIInChI=1S/C16H24N2O/c1-13(2)18-10-7-16(3,8-11-18)15(19)12-14-6-4-5-9-17-14/h4-6,9,13H,7-8,10-12H2,1-3H3
InChIKeyIUHFOZMCRJRDDV-UHFFFAOYSA-N
XLogP2.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-propan-2-yl-N-pyridin-2-ylpiperidine-4-carboxamide
CID 134515265
2-amino-3-methyl-N-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butanamide
CID 142327146
4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113103329
methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide
CID 139362651
CID 131857449
CID 131857449
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 115276738
1-(1-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114975659
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 55057978
2-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]pyridine
CID 134434529
4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid
CID 63123409
(3S)-3-hydroxy-3,4-dimethyl-1-pyridin-2-ylpentan-2-one
CID 125490825

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone (CID 159270457) is 1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone is CC(C)N1CCC(C)(C(=O)Cc2ccccn2)CC1.
What is the InChIKey of 1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone?
The InChIKey is IUHFOZMCRJRDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(2)18-10-7-16(3,8-11-18)15(19)12-14-6-4-5-9-17-14/h4-6,9,13H,7-8,10-12H2,1-3H3.
What are the key properties of 1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone?
1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone has a molecular weight of 260.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 159270457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).