4-amino-N-[2-(2,6-dimethylphenyl)propyl]piperidine-4-carboxamide

C17H27N3O — CID 70517689

IUPAC4-amino-N-[2-(2,6-dimethylphenyl)propyl]piperidine-4-carboxamide
SMILESCc1cccc(C)c1C(C)CNC(=O)C1(N)CCNCC1
InChIInChI=1S/C17H27N3O/c1-12-5-4-6-13(2)15(12)14(3)11-20-16(21)17(18)7-9-19-10-8-17/h4-6,14,19H,7-11,18H2,1-3H3,(H,20,21)
InChIKeyCAGWNAJSPAHUSS-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.60
Rot. Bonds4

About 4-amino-N-[2-(2,6-dimethylphenyl)propyl]piperidine-4-carboxamide

4-amino-N-[2-(2,6-dimethylphenyl)propyl]piperidine-4-carboxamide (PubChem CID 70517689) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-amino-N-[2-(2,6-dimethylphenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(2,6-dimethylphenyl)propyl]piperidine-4-carboxamide
PubChem CID70517689
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-amino-N-[2-(2,6-dimethylphenyl)propyl]piperidine-4-carboxamide
SMILESCc1cccc(C)c1C(C)CNC(=O)C1(N)CCNCC1
InChIInChI=1S/C17H27N3O/c1-12-5-4-6-13(2)15(12)14(3)11-20-16(21)17(18)7-9-19-10-8-17/h4-6,14,19H,7-11,18H2,1-3H3,(H,20,21)
InChIKeyCAGWNAJSPAHUSS-UHFFFAOYSA-N
XLogP1.60
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[2-(4-methylphenyl)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119795744
N-[2-(2,6-dichlorophenyl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930429
1-amino-N-[2-(4-methylphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119330383
4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one
CID 83923767
1-amino-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 65465254
1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119789718
N-(2-hydroxy-2-phenylethyl)-4-propylpiperidine-4-carboxamide
CID 63127671
1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide
CID 119315839
1-amino-N-[2-(4-fluorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119335506
1-amino-N-(3-phenylbutyl)cyclopropane-1-carboxamide
CID 65464091
N-(2-methylbutyl)-4-propylpiperidine-4-carboxamide
CID 63129494
3-amino-N-benzylpyrrolidine-3-carboxamide
CID 101010399

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,6-dimethylphenyl)propyl]piperidine-4-carboxamide?
The IUPAC name of 4-amino-N-[2-(2,6-dimethylphenyl)propyl]piperidine-4-carboxamide (CID 70517689) is 4-amino-N-[2-(2,6-dimethylphenyl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(2,6-dimethylphenyl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 4-amino-N-[2-(2,6-dimethylphenyl)propyl]piperidine-4-carboxamide is Cc1cccc(C)c1C(C)CNC(=O)C1(N)CCNCC1.
What is the InChIKey of 4-amino-N-[2-(2,6-dimethylphenyl)propyl]piperidine-4-carboxamide?
The InChIKey is CAGWNAJSPAHUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12-5-4-6-13(2)15(12)14(3)11-20-16(21)17(18)7-9-19-10-8-17/h4-6,14,19H,7-11,18H2,1-3H3,(H,20,21).
What are the key properties of 4-amino-N-[2-(2,6-dimethylphenyl)propyl]piperidine-4-carboxamide?
4-amino-N-[2-(2,6-dimethylphenyl)propyl]piperidine-4-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,6-dimethylphenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 70517689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).