(3S)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide

C16H24N2O — CID 81129873

IUPAC(3S)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)[C@H]2CCCNC2)cc1
InChIInChI=1S/C16H24N2O/c1-12-6-8-14(9-7-12)13(2)18(3)16(19)15-5-4-10-17-11-15/h6-9,13,15,17H,4-5,10-11H2,1-3H3/t13?,15-/m0/s1
InChIKeyWRXVVMOULWRERE-WUJWULDRSA-N
MW260.38 g/mol
LogP2.51
Rot. Bonds3

About (3S)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide

(3S)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 81129873) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (3S)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID81129873
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(3S)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)[C@H]2CCCNC2)cc1
InChIInChI=1S/C16H24N2O/c1-12-6-8-14(9-7-12)13(2)18(3)16(19)15-5-4-10-17-11-15/h6-9,13,15,17H,4-5,10-11H2,1-3H3/t13?,15-/m0/s1
InChIKeyWRXVVMOULWRERE-WUJWULDRSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 63005298
(3R)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 81128232
(3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 93370008
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
N-ethyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 60947943
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylpiperidine-3-carboxamide
CID 119297631
(3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81129751
N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119275393
N-[1-(4-fluorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 54869659
(3S)-N,N-dimethylpiperidine-3-carboxamide
CID 11469201
2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 114997863
N-(3,5-dimethylphenyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119300463

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide (CID 81129873) is (3S)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide is Cc1ccc(C(C)N(C)C(=O)[C@H]2CCCNC2)cc1.
What is the InChIKey of (3S)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is WRXVVMOULWRERE-WUJWULDRSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-6-8-14(9-7-12)13(2)18(3)16(19)15-5-4-10-17-11-15/h6-9,13,15,17H,4-5,10-11H2,1-3H3/t13?,15-/m0/s1.
What are the key properties of (3S)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
(3S)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 81129873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).