4-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide

C15H21N3O3 — CID 119632269

IUPAC4-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide
SMILESNCC1CCCN1C(=O)CCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H21N3O3/c16-10-12-2-1-8-18(12)14(19)7-9-21-13-5-3-11(4-6-13)15(17)20/h3-6,12H,1-2,7-10,16H2,(H2,17,20)
InChIKeyWHXLVZRWFSQSSH-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.50
Rot. Bonds6

About 4-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide

4-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide (PubChem CID 119632269) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide.

Molecular Properties

Compound Name4-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide
PubChem CID119632269
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide
SMILESNCC1CCCN1C(=O)CCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H21N3O3/c16-10-12-2-1-8-18(12)14(19)7-9-21-13-5-3-11(4-6-13)15(17)20/h3-6,12H,1-2,7-10,16H2,(H2,17,20)
InChIKeyWHXLVZRWFSQSSH-UHFFFAOYSA-N
XLogP0.50
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]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

4-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
CID 119649902
1-[2-(aminomethyl)piperidin-1-yl]-3-(4-propan-2-ylphenoxy)propan-1-one
CID 119466873
4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
CID 119435674
[2-(aminomethyl)pyrrolidin-1-yl]-(4-butoxyphenyl)methanone;hydrochloride
CID 119631878
1-[2-(aminomethyl)piperidin-1-yl]-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride
CID 119466604
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 119630849
4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7931483
4-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropoxy]benzamide
CID 124699526
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-fluorophenoxy)propan-1-one;hydrochloride
CID 119631870
1-[2-(aminomethyl)piperidin-1-yl]-4-(4-methylsulfonylphenoxy)butan-1-one
CID 119469736
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 119469100
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-ethylphenoxy)ethanone
CID 119631366

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide?
The IUPAC name of 4-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide (CID 119632269) is 4-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide.
What is the SMILES notation for 4-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide?
The canonical SMILES for 4-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide is NCC1CCCN1C(=O)CCOc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide?
The InChIKey is WHXLVZRWFSQSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-10-12-2-1-8-18(12)14(19)7-9-21-13-5-3-11(4-6-13)15(17)20/h3-6,12H,1-2,7-10,16H2,(H2,17,20).
What are the key properties of 4-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide?
4-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide has a molecular weight of 291.35 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide is sourced from PubChem (CID 119632269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).