1-[4-(aminomethyl)benzoyl]-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride

C17H26ClN3O2 — CID 119305873

IUPAC1-[4-(aminomethyl)benzoyl]-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)C1CCCN1C(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-3-19(4-2)17(22)15-6-5-11-20(15)16(21)14-9-7-13(12-18)8-10-14;/h7-10,15H,3-6,11-12,18H2,1-2H3;1H
InChIKeyWNDSFIGKMFEEOC-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.04
Rot. Bonds5

About 1-[4-(aminomethyl)benzoyl]-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride

1-[4-(aminomethyl)benzoyl]-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119305873) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 1-[4-(aminomethyl)benzoyl]-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[4-(aminomethyl)benzoyl]-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID119305873
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name1-[4-(aminomethyl)benzoyl]-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)C1CCCN1C(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-3-19(4-2)17(22)15-6-5-11-20(15)16(21)14-9-7-13(12-18)8-10-14;/h7-10,15H,3-6,11-12,18H2,1-2H3;1H
InChIKeyWNDSFIGKMFEEOC-UHFFFAOYSA-N
XLogP2.04
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N,N-diethyl-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 95196009
(2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 95196086
[4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 55029111
1-(2-aminoacetyl)-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 119305869
(2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 95196179
1-(3-acetamido-4-fluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 56804963
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[4-(aminomethyl)phenyl]methanone
CID 43627930
1-[4-(aminomethyl)benzoyl]-3-methylpiperidine-2-carboxylic acid
CID 107068830
1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119293629
1-(4-ethylbenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77035991
1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 112821500
3-[2-(diethylcarbamoyl)pyrrolidine-1-carbonyl]-5-nitrobenzoic acid
CID 119182636

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)benzoyl]-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-[4-(aminomethyl)benzoyl]-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride (CID 119305873) is 1-[4-(aminomethyl)benzoyl]-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-[4-(aminomethyl)benzoyl]-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-[4-(aminomethyl)benzoyl]-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride is CCN(CC)C(=O)C1CCCN1C(=O)c1ccc(CN)cc1.Cl.
What is the InChIKey of 1-[4-(aminomethyl)benzoyl]-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is WNDSFIGKMFEEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-3-19(4-2)17(22)15-6-5-11-20(15)16(21)14-9-7-13(12-18)8-10-14;/h7-10,15H,3-6,11-12,18H2,1-2H3;1H.
What are the key properties of 1-[4-(aminomethyl)benzoyl]-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride?
1-[4-(aminomethyl)benzoyl]-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)benzoyl]-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119305873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).