N-(2-aminophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide

C16H26N4O — CID 62546374

IUPACN-(2-aminophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
SMILESCC(C(=O)Nc1ccccc1N)N(C)C1CCCN(C)C1
InChIInChI=1S/C16H26N4O/c1-12(20(3)13-7-6-10-19(2)11-13)16(21)18-15-9-5-4-8-14(15)17/h4-5,8-9,12-13H,6-7,10-11,17H2,1-3H3,(H,18,21)
InChIKeyQZLSACSIPVBBBC-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.62
Rot. Bonds4

About N-(2-aminophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide

N-(2-aminophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide (PubChem CID 62546374) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
PubChem CID62546374
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(2-aminophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
SMILESCC(C(=O)Nc1ccccc1N)N(C)C1CCCN(C)C1
InChIInChI=1S/C16H26N4O/c1-12(20(3)13-7-6-10-19(2)11-13)16(21)18-15-9-5-4-8-14(15)17/h4-5,8-9,12-13H,6-7,10-11,17H2,1-3H3,(H,18,21)
InChIKeyQZLSACSIPVBBBC-UHFFFAOYSA-N
XLogP1.62
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
CID 62900097
(2R)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 95630574
N-(2-aminophenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43568725
N-(2-amino-4-chlorophenyl)-2-[cyclopentyl(methyl)amino]propanamide
CID 43266814
N-(2-aminophenyl)-2-[cyclopropyl(propyl)amino]propanamide
CID 43270011
N-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545494
N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(methyl)amino]propanamide
CID 43264543
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-(1-methylpiperidin-3-yl)carbamate
CID 68850756
N-(3-amino-2-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propanamide
CID 43296275
N-(2-aminophenyl)-2-cyclobutyloxypropanamide
CID 62116312
N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62942601
4-[[(2R)-2-aminopropanoyl]amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 119890915

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide?
The IUPAC name of N-(2-aminophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide (CID 62546374) is N-(2-aminophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide.
What is the SMILES notation for N-(2-aminophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide?
The canonical SMILES for N-(2-aminophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide is CC(C(=O)Nc1ccccc1N)N(C)C1CCCN(C)C1.
What is the InChIKey of N-(2-aminophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide?
The InChIKey is QZLSACSIPVBBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(20(3)13-7-6-10-19(2)11-13)16(21)18-15-9-5-4-8-14(15)17/h4-5,8-9,12-13H,6-7,10-11,17H2,1-3H3,(H,18,21).
What are the key properties of N-(2-aminophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide?
N-(2-aminophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide has a molecular weight of 290.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide is sourced from PubChem (CID 62546374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).