(4,4-dimethylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone

C16H24N2O — CID 167547191

IUPAC(4,4-dimethylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(C)(C)CC2)ccn1
InChIInChI=1S/C16H24N2O/c1-12(2)14-11-13(5-8-17-14)15(19)18-9-6-16(3,4)7-10-18/h5,8,11-12H,6-7,9-10H2,1-4H3
InChIKeyAWPJTCGUPIZUKN-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.47
Rot. Bonds2

About (4,4-dimethylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone

(4,4-dimethylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone (PubChem CID 167547191) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (4,4-dimethylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4,4-dimethylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
PubChem CID167547191
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(4,4-dimethylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(C)(C)CC2)ccn1
InChIInChI=1S/C16H24N2O/c1-12(2)14-11-13(5-8-17-14)15(19)18-9-6-16(3,4)7-10-18/h5,8,11-12H,6-7,9-10H2,1-4H3
InChIKeyAWPJTCGUPIZUKN-UHFFFAOYSA-N
XLogP3.47
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-amino-3-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 139360995
(3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167555398
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617
(3-ethylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167547190
(4,4-dimethylazepan-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
CID 65286887
2-propan-2-ylpyridine-4-carboxamide
CID 53424773
(4,4-dimethylpiperidin-1-yl)-(3-sulfanylphenyl)methanone
CID 107028906
4-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)pyridine-2-carboxylic acid
CID 107457873
(4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone
CID 62930528
(4-hydroxy-4-methylazepan-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 107406591
(2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 155245200
(3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707064

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone?
The IUPAC name of (4,4-dimethylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone (CID 167547191) is (4,4-dimethylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone.
What is the SMILES notation for (4,4-dimethylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone?
The canonical SMILES for (4,4-dimethylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone is CC(C)c1cc(C(=O)N2CCC(C)(C)CC2)ccn1.
What is the InChIKey of (4,4-dimethylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone?
The InChIKey is AWPJTCGUPIZUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)14-11-13(5-8-17-14)15(19)18-9-6-16(3,4)7-10-18/h5,8,11-12H,6-7,9-10H2,1-4H3.
What are the key properties of (4,4-dimethylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone?
(4,4-dimethylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone has a molecular weight of 260.38 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone is sourced from PubChem (CID 167547191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).