N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]pentanamide

C17H27N3O — CID 91675384

IUPACN-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1cc(N)ccc1N1CCCCC1C
InChIInChI=1S/C17H27N3O/c1-3-4-8-17(21)19-15-12-14(18)9-10-16(15)20-11-6-5-7-13(20)2/h9-10,12-13H,3-8,11,18H2,1-2H3,(H,19,21)
InChIKeyBEJCPIWOVSKPDN-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.78
Rot. Bonds5

About N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]pentanamide

N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]pentanamide (PubChem CID 91675384) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]pentanamide.

Molecular Properties

Compound NameN-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]pentanamide
PubChem CID91675384
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1cc(N)ccc1N1CCCCC1C
InChIInChI=1S/C17H27N3O/c1-3-4-8-17(21)19-15-12-14(18)9-10-16(15)20-11-6-5-7-13(20)2/h9-10,12-13H,3-8,11,18H2,1-2H3,(H,19,21)
InChIKeyBEJCPIWOVSKPDN-UHFFFAOYSA-N
XLogP3.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]pentanamide 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

N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]hexanamide
CID 100803137
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide
CID 100803131
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-(4-chlorophenyl)acetamide
CID 100803144
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 91675423
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 91675368
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide
CID 100803176
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-chlorobenzamide
CID 100803194
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide
CID 100803229
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide
CID 100803206
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 91675412
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide
CID 100803151
N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide
CID 16779127

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]pentanamide?
The IUPAC name of N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]pentanamide (CID 91675384) is N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]pentanamide.
What is the SMILES notation for N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]pentanamide?
The canonical SMILES for N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]pentanamide is CCCCC(=O)Nc1cc(N)ccc1N1CCCCC1C.
What is the InChIKey of N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]pentanamide?
The InChIKey is BEJCPIWOVSKPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-4-8-17(21)19-15-12-14(18)9-10-16(15)20-11-6-5-7-13(20)2/h9-10,12-13H,3-8,11,18H2,1-2H3,(H,19,21).
What are the key properties of N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]pentanamide?
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]pentanamide has a molecular weight of 289.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]pentanamide is sourced from PubChem (CID 91675384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).