N-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide

C18H28N2O2 — CID 50961416

IUPACN-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCC(C)COc1ccccc1CN(C)C(=O)C1CCNCC1
InChIInChI=1S/C18H28N2O2/c1-14(2)13-22-17-7-5-4-6-16(17)12-20(3)18(21)15-8-10-19-11-9-15/h4-7,14-15,19H,8-13H2,1-3H3
InChIKeyPSOHRRSNWBIPKR-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.68
Rot. Bonds6

About N-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide

N-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 50961416) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide
PubChem CID50961416
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCC(C)COc1ccccc1CN(C)C(=O)C1CCNCC1
InChIInChI=1S/C18H28N2O2/c1-14(2)13-22-17-7-5-4-6-16(17)12-20(3)18(21)15-8-10-19-11-9-15/h4-7,14-15,19H,8-13H2,1-3H3
InChIKeyPSOHRRSNWBIPKR-UHFFFAOYSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 63005308
(1S,3R,4R)-3-amino-4-methoxy-N-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 163333943
(3R)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 124685958
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038
(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128624
N-[(2-methoxyphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 106739545
N-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 115159561
N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119294048
N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119739883
(2R)-N-[(2-ethoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103809566
2-methyl-4-[2-(2-methylpropoxy)phenyl]-1-piperazin-1-ylbutan-1-one
CID 83932443
N-[3-methyl-1-[2-(2-methylpropoxy)phenyl]butyl]piperidine-4-carboxamide
CID 119342940

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide (CID 50961416) is N-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide is CC(C)COc1ccccc1CN(C)C(=O)C1CCNCC1.
What is the InChIKey of N-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is PSOHRRSNWBIPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(2)13-22-17-7-5-4-6-16(17)12-20(3)18(21)15-8-10-19-11-9-15/h4-7,14-15,19H,8-13H2,1-3H3.
What are the key properties of N-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide?
N-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 50961416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).