1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride

C15H28ClN3O2 — CID 119533681

IUPAC1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCCCC(=O)N1CCCC1C(=O)NCCC1CCNC1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-2-4-14(19)18-10-3-5-13(18)15(20)17-9-7-12-6-8-16-11-12;/h12-13,16H,2-11H2,1H3,(H,17,20);1H
InChIKeyCNAHFXUBGPOGCA-UHFFFAOYSA-N
MW317.86 g/mol
LogP1.32
Rot. Bonds6

About 1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride

1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119533681) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is 1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119533681
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC Name1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCCCC(=O)N1CCCC1C(=O)NCCC1CCNC1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-2-4-14(19)18-10-3-5-13(18)15(20)17-9-7-12-6-8-16-11-12;/h12-13,16H,2-11H2,1H3,(H,17,20);1H
InChIKeyCNAHFXUBGPOGCA-UHFFFAOYSA-N
XLogP1.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride 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

1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119555252
1-butanoyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119555253
1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119535072
3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119536892
1-(adamantane-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119537044
1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119557113
1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide
CID 120555744
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 120945107
1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119538060
N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride
CID 119537193
(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833452

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119533681) is 1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride is CCCC(=O)N1CCCC1C(=O)NCCC1CCNC1.Cl.
What is the InChIKey of 1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is CNAHFXUBGPOGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.ClH/c1-2-4-14(19)18-10-3-5-13(18)15(20)17-9-7-12-6-8-16-11-12;/h12-13,16H,2-11H2,1H3,(H,17,20);1H.
What are the key properties of 1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride?
1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119533681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).