N-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide

C17H27N3O — CID 43680712

IUPACN-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
SMILESCCNC(=O)c1cccc(NC2CCN(C(C)C)CC2)c1
InChIInChI=1S/C17H27N3O/c1-4-18-17(21)14-6-5-7-16(12-14)19-15-8-10-20(11-9-15)13(2)3/h5-7,12-13,15,19H,4,8-11H2,1-3H3,(H,18,21)
InChIKeyDRTLDRRGDZEUEX-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.72
Rot. Bonds5

About N-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide

N-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide (PubChem CID 43680712) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
PubChem CID43680712
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
SMILESCCNC(=O)c1cccc(NC2CCN(C(C)C)CC2)c1
InChIInChI=1S/C17H27N3O/c1-4-18-17(21)14-6-5-7-16(12-14)19-15-8-10-20(11-9-15)13(2)3/h5-7,12-13,15,19H,4,8-11H2,1-3H3,(H,18,21)
InChIKeyDRTLDRRGDZEUEX-UHFFFAOYSA-N
XLogP2.72
TPSA44.37 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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide 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-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
CID 43728511
N-ethyl-3-(oxan-4-ylamino)benzamide
CID 43680696
N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 62326820
methyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate
CID 60944093
N-(3-ethylphenyl)-1-propan-2-ylazepan-4-amine
CID 65072849
N-ethyl-3-[(2-methylcyclopentyl)amino]benzamide
CID 65044409
3-(cycloheptylamino)-N-propan-2-ylbenzamide
CID 43693920
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
N-ethyl-3-(2-methylpropylamino)benzamide
CID 43680721
4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide
CID 43787652
N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzamide
CID 62702969
3-acetamido-N-ethylbenzamide
CID 17230670

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide?
The IUPAC name of N-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide (CID 43680712) is N-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide.
What is the SMILES notation for N-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide?
The canonical SMILES for N-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide is CCNC(=O)c1cccc(NC2CCN(C(C)C)CC2)c1.
What is the InChIKey of N-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide?
The InChIKey is DRTLDRRGDZEUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-18-17(21)14-6-5-7-16(12-14)19-15-8-10-20(11-9-15)13(2)3/h5-7,12-13,15,19H,4,8-11H2,1-3H3,(H,18,21).
What are the key properties of N-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide?
N-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide is sourced from PubChem (CID 43680712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).