(3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide

C17H26N2O — CID 81129751

IUPAC(3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)c1ccc(CN(C)C(=O)[C@H]2CCCNC2)cc1
InChIInChI=1S/C17H26N2O/c1-13(2)15-8-6-14(7-9-15)12-19(3)17(20)16-5-4-10-18-11-16/h6-9,13,16,18H,4-5,10-12H2,1-3H3/t16-/m0/s1
InChIKeyFEYPJYODRJUGMI-INIZCTEOSA-N
MW274.41 g/mol
LogP2.77
Rot. Bonds4

About (3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide

(3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 81129751) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID81129751
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)c1ccc(CN(C)C(=O)[C@H]2CCCNC2)cc1
InChIInChI=1S/C17H26N2O/c1-13(2)15-8-6-14(7-9-15)12-19(3)17(20)16-5-4-10-18-11-16/h6-9,13,16,18H,4-5,10-12H2,1-3H3/t16-/m0/s1
InChIKeyFEYPJYODRJUGMI-INIZCTEOSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43579181
(3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128806
(3R)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81133672
(3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81124371
(3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 81128292
N-[(4-chlorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 63005156
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 81125976
3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119681964
(3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 81129550
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
(3R)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 81139627
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 119301226

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 81129751) is (3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide is CC(C)c1ccc(CN(C)C(=O)[C@H]2CCCNC2)cc1.
What is the InChIKey of (3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is FEYPJYODRJUGMI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)15-8-6-14(7-9-15)12-19(3)17(20)16-5-4-10-18-11-16/h6-9,13,16,18H,4-5,10-12H2,1-3H3/t16-/m0/s1.
What are the key properties of (3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide?
(3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 81129751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).