1-(3-chlorophenyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide

C17H25ClN2O — CID 17153110

IUPAC1-(3-chlorophenyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H25ClN2O/c1-4-17(2,3)19-16(21)13-8-10-20(11-9-13)15-7-5-6-14(18)12-15/h5-7,12-13H,4,8-11H2,1-3H3,(H,19,21)
InChIKeyNUCQGOZVTLUKOR-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.86
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide

1-(3-chlorophenyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide (PubChem CID 17153110) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
PubChem CID17153110
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name1-(3-chlorophenyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H25ClN2O/c1-4-17(2,3)19-16(21)13-8-10-20(11-9-13)15-7-5-6-14(18)12-15/h5-7,12-13H,4,8-11H2,1-3H3,(H,19,21)
InChIKeyNUCQGOZVTLUKOR-UHFFFAOYSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152865
1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 39394641
1-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 653435
N-[2-(tert-butylcarbamoyl)phenyl]-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17153142
N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152955
1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17153034
1-(3-chlorophenyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 17152909
1-(3-chlorophenyl)-4-ethylpiperidine
CID 178142093
1-(3-chlorophenyl)-N-[4-(ethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17153132
N-(4-chloro-2,5-dimethoxyphenyl)-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17153018
1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17153129
methyl (3S)-1-(3-chlorophenyl)pyrrolidine-3-carboxylate
CID 124638264

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide (CID 17153110) is 1-(3-chlorophenyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide is CCC(C)(C)NC(=O)C1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide?
The InChIKey is NUCQGOZVTLUKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-4-17(2,3)19-16(21)13-8-10-20(11-9-13)15-7-5-6-14(18)12-15/h5-7,12-13H,4,8-11H2,1-3H3,(H,19,21).
What are the key properties of 1-(3-chlorophenyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide?
1-(3-chlorophenyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide has a molecular weight of 308.85 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 17153110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).