3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride

C12H22ClN3O2 — CID 119758195

IUPAC3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCN1CC(NC(=O)C2CCCC(N)C2)CC1=O.Cl
InChIInChI=1S/C12H21N3O2.ClH/c1-15-7-10(6-11(15)16)14-12(17)8-3-2-4-9(13)5-8;/h8-10H,2-7,13H2,1H3,(H,14,17);1H
InChIKeyBFECTBQJLBBUDA-UHFFFAOYSA-N
MW275.78 g/mol
LogP0.27
Rot. Bonds2

About 3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119758195) has the molecular formula C12H22ClN3O2 and a molecular weight of 275.78 g/mol. Its IUPAC name is 3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119758195
Molecular FormulaC12H22ClN3O2
Molecular Weight275.78 g/mol
Exact Mass275.14
IUPAC Name3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCN1CC(NC(=O)C2CCCC(N)C2)CC1=O.Cl
InChIInChI=1S/C12H21N3O2.ClH/c1-15-7-10(6-11(15)16)14-12(17)8-3-2-4-9(13)5-8;/h8-10H,2-7,13H2,1H3,(H,14,17);1H
InChIKeyBFECTBQJLBBUDA-UHFFFAOYSA-N
XLogP0.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
(2S,4S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)piperidine-4-carboxamide
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CID 62775601
(4R,8R)-8-(cyclobutylamino)-N-cyclopropyl-1-methyl-2-oxoazonane-4-carboxamide
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N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide
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3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
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3-amino-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)cyclohexane-1-carboxamide
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3-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride (CID 119758195) is 3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride is CN1CC(NC(=O)C2CCCC(N)C2)CC1=O.Cl.
What is the InChIKey of 3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is BFECTBQJLBBUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2.ClH/c1-15-7-10(6-11(15)16)14-12(17)8-3-2-4-9(13)5-8;/h8-10H,2-7,13H2,1H3,(H,14,17);1H.
What are the key properties of 3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119758195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).