N-(3-methyl-2-phenylbutyl)piperidine-3-carboxamide

C17H26N2O — CID 119294119

IUPACN-(3-methyl-2-phenylbutyl)piperidine-3-carboxamide
SMILESCC(C)C(CNC(=O)C1CCCNC1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-13(2)16(14-7-4-3-5-8-14)12-19-17(20)15-9-6-10-18-11-15/h3-5,7-8,13,15-16,18H,6,9-12H2,1-2H3,(H,19,20)
InChIKeyXANWZFCOUSRCNJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.54
Rot. Bonds5

About N-(3-methyl-2-phenylbutyl)piperidine-3-carboxamide

N-(3-methyl-2-phenylbutyl)piperidine-3-carboxamide (PubChem CID 119294119) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(3-methyl-2-phenylbutyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-phenylbutyl)piperidine-3-carboxamide
PubChem CID119294119
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(3-methyl-2-phenylbutyl)piperidine-3-carboxamide
SMILESCC(C)C(CNC(=O)C1CCCNC1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-13(2)16(14-7-4-3-5-8-14)12-19-17(20)15-9-6-10-18-11-15/h3-5,7-8,13,15-16,18H,6,9-12H2,1-2H3,(H,19,20)
InChIKeyXANWZFCOUSRCNJ-UHFFFAOYSA-N
XLogP2.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxy-2-phenylbutyl)piperidine-3-carboxamide
CID 119326534
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-(2,3-dimethylbutyl)piperidine-3-carboxamide;hydrochloride
CID 119330823
N-(2-hydroxy-3-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119317160
N-[3-(1-phenylethoxy)propyl]piperidine-3-carboxamide;hydrochloride
CID 119273576
N-(1-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119279865
4-methyl-3-phenyl-N-piperidin-3-ylpentanamide;hydrochloride
CID 119424594
(3S)-N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 124589589
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 154759784
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
N-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
CID 119300277
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 119328668

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-phenylbutyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-methyl-2-phenylbutyl)piperidine-3-carboxamide (CID 119294119) is N-(3-methyl-2-phenylbutyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-2-phenylbutyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-methyl-2-phenylbutyl)piperidine-3-carboxamide is CC(C)C(CNC(=O)C1CCCNC1)c1ccccc1.
What is the InChIKey of N-(3-methyl-2-phenylbutyl)piperidine-3-carboxamide?
The InChIKey is XANWZFCOUSRCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)16(14-7-4-3-5-8-14)12-19-17(20)15-9-6-10-18-11-15/h3-5,7-8,13,15-16,18H,6,9-12H2,1-2H3,(H,19,20).
What are the key properties of N-(3-methyl-2-phenylbutyl)piperidine-3-carboxamide?
N-(3-methyl-2-phenylbutyl)piperidine-3-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-phenylbutyl)piperidine-3-carboxamide is sourced from PubChem (CID 119294119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).