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

C18H28N2O — CID 63131135

IUPACN,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)c1ccc(CN(C)C(=O)C2(C)CCCNC2)cc1
InChIInChI=1S/C18H28N2O/c1-14(2)16-8-6-15(7-9-16)12-20(4)17(21)18(3)10-5-11-19-13-18/h6-9,14,19H,5,10-13H2,1-4H3
InChIKeyFGWNOEQREYKQFY-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.16
Rot. Bonds4

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

N,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 63131135) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID63131135
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)c1ccc(CN(C)C(=O)C2(C)CCCNC2)cc1
InChIInChI=1S/C18H28N2O/c1-14(2)16-8-6-15(7-9-16)12-20(4)17(21)18(3)10-5-11-19-13-18/h6-9,14,19H,5,10-13H2,1-4H3
InChIKeyFGWNOEQREYKQFY-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
CID 119943770
N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63138507
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
CID 119944199
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119946233
1-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119681945
4-(methoxymethyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120617386
1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 116570100
N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
CID 104985630
N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide
CID 55164319
N-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide
CID 63131473
N,4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 63121399
N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63143386

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 63131135) is N,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide is CC(C)c1ccc(CN(C)C(=O)C2(C)CCCNC2)cc1.
What is the InChIKey of N,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is FGWNOEQREYKQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)16-8-6-15(7-9-16)12-20(4)17(21)18(3)10-5-11-19-13-18/h6-9,14,19H,5,10-13H2,1-4H3.
What are the key properties of N,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide?
N,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 63131135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).