N-(3-amino-2,6-dimethylphenyl)-3-methylpiperidine-1-carboxamide

C15H23N3O — CID 79152846

IUPACN-(3-amino-2,6-dimethylphenyl)-3-methylpiperidine-1-carboxamide
SMILESCc1ccc(N)c(C)c1NC(=O)N1CCCC(C)C1
InChIInChI=1S/C15H23N3O/c1-10-5-4-8-18(9-10)15(19)17-14-11(2)6-7-13(16)12(14)3/h6-7,10H,4-5,8-9,16H2,1-3H3,(H,17,19)
InChIKeyMLYOWBCKTAHBTP-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.15
Rot. Bonds1

About N-(3-amino-2,6-dimethylphenyl)-3-methylpiperidine-1-carboxamide

N-(3-amino-2,6-dimethylphenyl)-3-methylpiperidine-1-carboxamide (PubChem CID 79152846) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(3-amino-2,6-dimethylphenyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,6-dimethylphenyl)-3-methylpiperidine-1-carboxamide
PubChem CID79152846
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(3-amino-2,6-dimethylphenyl)-3-methylpiperidine-1-carboxamide
SMILESCc1ccc(N)c(C)c1NC(=O)N1CCCC(C)C1
InChIInChI=1S/C15H23N3O/c1-10-5-4-8-18(9-10)15(19)17-14-11(2)6-7-13(16)12(14)3/h6-7,10H,4-5,8-9,16H2,1-3H3,(H,17,19)
InChIKeyMLYOWBCKTAHBTP-UHFFFAOYSA-N
XLogP3.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47195287
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793
2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 63652481
N-(3-amino-2-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 113391868
(3-amino-2,6-dimethylphenyl)urea
CID 19820899
(3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide
CID 94161618
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpiperidine-1-carboxamide
CID 79158051
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
N-(2-hydroxy-6-nitrophenyl)-3-methylpiperidine-1-carboxamide
CID 107681482
2-(2-amino-5-methylphenyl)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 99991754
N-(3-amino-4-methylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 43375487
N-(4-amino-4-oxobutyl)-3-methylpiperidine-1-carboxamide
CID 115584144

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,6-dimethylphenyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(3-amino-2,6-dimethylphenyl)-3-methylpiperidine-1-carboxamide (CID 79152846) is N-(3-amino-2,6-dimethylphenyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-amino-2,6-dimethylphenyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-amino-2,6-dimethylphenyl)-3-methylpiperidine-1-carboxamide is Cc1ccc(N)c(C)c1NC(=O)N1CCCC(C)C1.
What is the InChIKey of N-(3-amino-2,6-dimethylphenyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is MLYOWBCKTAHBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-5-4-8-18(9-10)15(19)17-14-11(2)6-7-13(16)12(14)3/h6-7,10H,4-5,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of N-(3-amino-2,6-dimethylphenyl)-3-methylpiperidine-1-carboxamide?
N-(3-amino-2,6-dimethylphenyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 3.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,6-dimethylphenyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79152846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).