4-[(3-nitrophenyl)methylamino]piperidine-1-carboxamide

C13H18N4O3 — CID 62505759

IUPAC4-[(3-nitrophenyl)methylamino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C13H18N4O3/c14-13(18)16-6-4-11(5-7-16)15-9-10-2-1-3-12(8-10)17(19)20/h1-3,8,11,15H,4-7,9H2,(H2,14,18)
InChIKeyUHPZADBXNIOLLF-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.23
Rot. Bonds4

About 4-[(3-nitrophenyl)methylamino]piperidine-1-carboxamide

4-[(3-nitrophenyl)methylamino]piperidine-1-carboxamide (PubChem CID 62505759) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[(3-nitrophenyl)methylamino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-nitrophenyl)methylamino]piperidine-1-carboxamide
PubChem CID62505759
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name4-[(3-nitrophenyl)methylamino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C13H18N4O3/c14-13(18)16-6-4-11(5-7-16)15-9-10-2-1-3-12(8-10)17(19)20/h1-3,8,11,15H,4-7,9H2,(H2,14,18)
InChIKeyUHPZADBXNIOLLF-UHFFFAOYSA-N
XLogP1.23
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(3-nitrophenyl)methylamino]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-nitrophenyl)methylamino]cyclohexan-1-ol
CID 28615203
1-benzyl-N-[(3-nitrophenyl)methyl]piperidin-4-amine
CID 17159259
4-(benzylamino)piperidine-1-carboxamide
CID 43757030
N-[(3-nitrophenyl)methyl]cyclohexanamine;oxalic acid
CID 17367766
N-[(3-nitrophenyl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 62505212
N-[[3-(3-nitrophenoxy)phenyl]methyl]cyclopropanamine
CID 63942130
N-[(3-nitrophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434614
2-(cyclopropylamino)-N-[(3-nitrophenyl)methyl]acetamide
CID 62505597
N-[(3-nitrophenyl)methyl]piperidin-3-amine
CID 55083688
[(3R)-3-[(3-chlorophenyl)methylamino]pyrrolidin-1-yl]-(3,5-dinitrophenyl)methanone
CID 44611564
N-[(3-nitrophenyl)methyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine
CID 97238331
1-[(3-nitrophenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63032292

Frequently Asked Questions

What is the IUPAC name of 4-[(3-nitrophenyl)methylamino]piperidine-1-carboxamide?
The IUPAC name of 4-[(3-nitrophenyl)methylamino]piperidine-1-carboxamide (CID 62505759) is 4-[(3-nitrophenyl)methylamino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3-nitrophenyl)methylamino]piperidine-1-carboxamide?
The canonical SMILES for 4-[(3-nitrophenyl)methylamino]piperidine-1-carboxamide is NC(=O)N1CCC(NCc2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of 4-[(3-nitrophenyl)methylamino]piperidine-1-carboxamide?
The InChIKey is UHPZADBXNIOLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c14-13(18)16-6-4-11(5-7-16)15-9-10-2-1-3-12(8-10)17(19)20/h1-3,8,11,15H,4-7,9H2,(H2,14,18).
What are the key properties of 4-[(3-nitrophenyl)methylamino]piperidine-1-carboxamide?
4-[(3-nitrophenyl)methylamino]piperidine-1-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-nitrophenyl)methylamino]piperidine-1-carboxamide is sourced from PubChem (CID 62505759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).