2,2-dimethyl-1-[4-(1-methylpiperidine-4-carbonyl)phenyl]propan-1-one

C18H25NO2 — CID 58228571

IUPAC2,2-dimethyl-1-[4-(1-methylpiperidine-4-carbonyl)phenyl]propan-1-one
SMILESCN1CCC(C(=O)c2ccc(C(=O)C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H25NO2/c1-18(2,3)17(21)15-7-5-13(6-8-15)16(20)14-9-11-19(4)12-10-14/h5-8,14H,9-12H2,1-4H3
InChIKeyOBUCWYALNRMWOD-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.44
Rot. Bonds3

About 2,2-dimethyl-1-[4-(1-methylpiperidine-4-carbonyl)phenyl]propan-1-one

2,2-dimethyl-1-[4-(1-methylpiperidine-4-carbonyl)phenyl]propan-1-one (PubChem CID 58228571) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(1-methylpiperidine-4-carbonyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(1-methylpiperidine-4-carbonyl)phenyl]propan-1-one
PubChem CID58228571
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2,2-dimethyl-1-[4-(1-methylpiperidine-4-carbonyl)phenyl]propan-1-one
SMILESCN1CCC(C(=O)c2ccc(C(=O)C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H25NO2/c1-18(2,3)17(21)15-7-5-13(6-8-15)16(20)14-9-11-19(4)12-10-14/h5-8,14H,9-12H2,1-4H3
InChIKeyOBUCWYALNRMWOD-UHFFFAOYSA-N
XLogP3.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1-methylpiperidine-4-carbonyl)phenyl]formamide
CID 58761955
(4-bromophenyl)-(1-methylpyrrolidin-3-yl)methanone
CID 68951075
[4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174578442
[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 111113275
2-(1-methylpiperidine-4-carbonyl)benzoic acid
CID 116836422
4-(4-carboxycyclohexanecarbonyl)benzoic acid
CID 71338600
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
1-methyl-5-(1-methylpiperidine-4-carbonyl)indazole-3-carboxylic acid
CID 170083056
tert-butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate
CID 10519988
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
1-[4-(4-ethylpiperidin-1-yl)phenyl]-2,2-dimethylpropan-1-one
CID 58256894
N-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide
CID 170668441

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(1-methylpiperidine-4-carbonyl)phenyl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(1-methylpiperidine-4-carbonyl)phenyl]propan-1-one (CID 58228571) is 2,2-dimethyl-1-[4-(1-methylpiperidine-4-carbonyl)phenyl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(1-methylpiperidine-4-carbonyl)phenyl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(1-methylpiperidine-4-carbonyl)phenyl]propan-1-one is CN1CCC(C(=O)c2ccc(C(=O)C(C)(C)C)cc2)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(1-methylpiperidine-4-carbonyl)phenyl]propan-1-one?
The InChIKey is OBUCWYALNRMWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-18(2,3)17(21)15-7-5-13(6-8-15)16(20)14-9-11-19(4)12-10-14/h5-8,14H,9-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[4-(1-methylpiperidine-4-carbonyl)phenyl]propan-1-one?
2,2-dimethyl-1-[4-(1-methylpiperidine-4-carbonyl)phenyl]propan-1-one has a molecular weight of 287.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(1-methylpiperidine-4-carbonyl)phenyl]propan-1-one is sourced from PubChem (CID 58228571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).