N-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide

C14H21N3O2 — CID 79155782

IUPACN-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCCC2)cc1N
InChIInChI=1S/C14H21N3O2/c1-19-13-6-5-11(9-12(13)15)10-16-14(18)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10,15H2,1H3,(H,16,18)
InChIKeyJBFYWCZJLJVMSV-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.97
Rot. Bonds3

About N-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide

N-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 79155782) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID79155782
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCCC2)cc1N
InChIInChI=1S/C14H21N3O2/c1-19-13-6-5-11(9-12(13)15)10-16-14(18)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10,15H2,1H3,(H,16,18)
InChIKeyJBFYWCZJLJVMSV-UHFFFAOYSA-N
XLogP1.97
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide
CID 121497136
N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide
CID 79153050
N-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide
CID 60972239
N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 95483224
N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide
CID 60972004
N-[(4-aminophenyl)methyl]pyrrolidine-1-carboxamide
CID 79161211
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 38151892
N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60972714
N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclopropylacetamide
CID 55031718
N-[(3-amino-4-methoxyphenyl)methyl]-2,2-dimethylbutanamide
CID 62678934
tert-butyl N-[1-[(3,4-dimethoxyphenyl)methylcarbamoyl]piperidin-3-yl]carbamate
CID 55911105

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide (CID 79155782) is N-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide is COc1ccc(CNC(=O)N2CCCCC2)cc1N.
What is the InChIKey of N-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is JBFYWCZJLJVMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-13-6-5-11(9-12(13)15)10-16-14(18)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10,15H2,1H3,(H,16,18).
What are the key properties of N-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide?
N-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 79155782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).