3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride

C16H24ClN3O2 — CID 119483619

IUPAC3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1cccc(C(=O)N2CCC(CN)C2)c1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-2-7-18-15(20)13-4-3-5-14(9-13)16(21)19-8-6-12(10-17)11-19;/h3-5,9,12H,2,6-8,10-11,17H2,1H3,(H,18,20);1H
InChIKeyRMJVFEIKMLGYOG-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.67
Rot. Bonds5

About 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride

3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride (PubChem CID 119483619) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride
PubChem CID119483619
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1cccc(C(=O)N2CCC(CN)C2)c1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-2-7-18-15(20)13-4-3-5-14(9-13)16(21)19-8-6-12(10-17)11-19;/h3-5,9,12H,2,6-8,10-11,17H2,1H3,(H,18,20);1H
InChIKeyRMJVFEIKMLGYOG-UHFFFAOYSA-N
XLogP1.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminopiperidine-1-carbonyl)-N-propylbenzamide
CID 119377560
2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid
CID 119177928
3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050285
3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide
CID 120996709
3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050297
3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050294
N-[4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]benzamide;hydrochloride
CID 119487124
3-(morpholine-4-carbonyl)-N-propylbenzamide
CID 109050289
[3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 62918972
3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050358
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119486462
methyl 3-[4-(aminomethyl)piperidine-1-carbonyl]benzoate
CID 176515172

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride?
The IUPAC name of 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride (CID 119483619) is 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride?
The canonical SMILES for 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride is CCCNC(=O)c1cccc(C(=O)N2CCC(CN)C2)c1.Cl.
What is the InChIKey of 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride?
The InChIKey is RMJVFEIKMLGYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-2-7-18-15(20)13-4-3-5-14(9-13)16(21)19-8-6-12(10-17)11-19;/h3-5,9,12H,2,6-8,10-11,17H2,1H3,(H,18,20);1H.
What are the key properties of 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride?
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119483619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).