1-(3-aminocyclohexanecarbonyl)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride

C15H26ClN3O2 — CID 119728127

IUPAC1-(3-aminocyclohexanecarbonyl)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)N2CCCC2C(=O)NC2CC2)C1
InChIInChI=1S/C15H25N3O2.ClH/c16-11-4-1-3-10(9-11)15(20)18-8-2-5-13(18)14(19)17-12-6-7-12;/h10-13H,1-9,16H2,(H,17,19);1H
InChIKeyLVTUYNPGJSIPIY-UHFFFAOYSA-N
MW315.85 g/mol
LogP1.20
Rot. Bonds3

About 1-(3-aminocyclohexanecarbonyl)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride

1-(3-aminocyclohexanecarbonyl)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119728127) has the molecular formula C15H26ClN3O2 and a molecular weight of 315.85 g/mol. Its IUPAC name is 1-(3-aminocyclohexanecarbonyl)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-aminocyclohexanecarbonyl)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID119728127
Molecular FormulaC15H26ClN3O2
Molecular Weight315.85 g/mol
Exact Mass315.17
IUPAC Name1-(3-aminocyclohexanecarbonyl)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)N2CCCC2C(=O)NC2CC2)C1
InChIInChI=1S/C15H25N3O2.ClH/c16-11-4-1-3-10(9-11)15(20)18-8-2-5-13(18)14(19)17-12-6-7-12;/h10-13H,1-9,16H2,(H,17,19);1H
InChIKeyLVTUYNPGJSIPIY-UHFFFAOYSA-N
XLogP1.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 55148085
N-cyclopropyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120622961
3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
(2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110285757
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-aminocyclohexyl)methanone;hydrochloride
CID 119686901
(3-aminocyclohexyl)-(2-cyclobutylpyrrolidin-1-yl)methanone
CID 119765726
(3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 62777355
3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 62775601
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide
CID 63043224
1-[(2R)-2-aminopropanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119291892
1-[2-(4-aminopiperidin-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 79323069

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclohexanecarbonyl)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-(3-aminocyclohexanecarbonyl)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride (CID 119728127) is 1-(3-aminocyclohexanecarbonyl)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-aminocyclohexanecarbonyl)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-aminocyclohexanecarbonyl)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)N2CCCC2C(=O)NC2CC2)C1.
What is the InChIKey of 1-(3-aminocyclohexanecarbonyl)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is LVTUYNPGJSIPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.ClH/c16-11-4-1-3-10(9-11)15(20)18-8-2-5-13(18)14(19)17-12-6-7-12;/h10-13H,1-9,16H2,(H,17,19);1H.
What are the key properties of 1-(3-aminocyclohexanecarbonyl)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride?
1-(3-aminocyclohexanecarbonyl)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 315.85 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclohexanecarbonyl)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119728127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).