1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide

C17H26N2O — CID 75524212

IUPAC1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
SMILESCC(C)c1ccc(CCN2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C17H26N2O/c1-13(2)15-7-5-14(6-8-15)9-11-19-10-3-4-16(12-19)17(18)20/h5-8,13,16H,3-4,9-12H2,1-2H3,(H2,18,20)
InChIKeyBAPDLIWNUOYDPM-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.55
Rot. Bonds5

About 1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide

1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 75524212) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID75524212
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
SMILESCC(C)c1ccc(CCN2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C17H26N2O/c1-13(2)15-7-5-14(6-8-15)9-11-19-10-3-4-16(12-19)17(18)20/h5-8,13,16H,3-4,9-12H2,1-2H3,(H2,18,20)
InChIKeyBAPDLIWNUOYDPM-UHFFFAOYSA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
(3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 118058321
1-[2-(4-propan-2-ylphenyl)ethyl]azetidine-3-carboxylic acid
CID 122046852
(3R)-1-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 40647229
4-[2-(4-propan-2-ylphenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 91648682
1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid
CID 82255457
(3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide
CID 99785633
(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464
1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide
CID 70718129
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxylate
CID 141241691
(3S)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458131

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide (CID 75524212) is 1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide is CC(C)c1ccc(CCN2CCCC(C(N)=O)C2)cc1.
What is the InChIKey of 1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is BAPDLIWNUOYDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)15-7-5-14(6-8-15)9-11-19-10-3-4-16(12-19)17(18)20/h5-8,13,16H,3-4,9-12H2,1-2H3,(H2,18,20).
What are the key properties of 1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide?
1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 75524212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).