N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide

C18H29N3O — CID 5147196

IUPACN-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(N(C)C(C)C)CC2)cc1C
InChIInChI=1S/C18H29N3O/c1-13(2)20(5)17-8-10-21(11-9-17)18(22)19-16-7-6-14(3)15(4)12-16/h6-7,12-13,17H,8-11H2,1-5H3,(H,19,22)
InChIKeyJEBXAQGZQGTYIH-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.64
Rot. Bonds3

About N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide

N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide (PubChem CID 5147196) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
PubChem CID5147196
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(N(C)C(C)C)CC2)cc1C
InChIInChI=1S/C18H29N3O/c1-13(2)20(5)17-8-10-21(11-9-17)18(22)19-16-7-6-14(3)15(4)12-16/h6-7,12-13,17H,8-11H2,1-5H3,(H,19,22)
InChIKeyJEBXAQGZQGTYIH-UHFFFAOYSA-N
XLogP3.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide (CID 5147196) is N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(N(C)C(C)C)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide?
The InChIKey is JEBXAQGZQGTYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-13(2)20(5)17-8-10-21(11-9-17)18(22)19-16-7-6-14(3)15(4)12-16/h6-7,12-13,17H,8-11H2,1-5H3,(H,19,22).
What are the key properties of N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide?
N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 5147196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).