1-amino-3-(3-phenylpyrrolidin-1-yl)cyclohexane-1-carboxamide

C17H25N3O — CID 79626357

IUPAC1-amino-3-(3-phenylpyrrolidin-1-yl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(N)CCCC(N2CCC(c3ccccc3)C2)C1
InChIInChI=1S/C17H25N3O/c18-16(21)17(19)9-4-7-15(11-17)20-10-8-14(12-20)13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12,19H2,(H2,18,21)
InChIKeyINCWYQUMNHYGAR-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.60
Rot. Bonds3

About 1-amino-3-(3-phenylpyrrolidin-1-yl)cyclohexane-1-carboxamide

1-amino-3-(3-phenylpyrrolidin-1-yl)cyclohexane-1-carboxamide (PubChem CID 79626357) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-amino-3-(3-phenylpyrrolidin-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(3-phenylpyrrolidin-1-yl)cyclohexane-1-carboxamide
PubChem CID79626357
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-amino-3-(3-phenylpyrrolidin-1-yl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(N)CCCC(N2CCC(c3ccccc3)C2)C1
InChIInChI=1S/C17H25N3O/c18-16(21)17(19)9-4-7-15(11-17)20-10-8-14(12-20)13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12,19H2,(H2,18,21)
InChIKeyINCWYQUMNHYGAR-UHFFFAOYSA-N
XLogP1.60
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-cyclopentyl-3-phenylpyrrolidine
CID 97327940
1-amino-3-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexane-1-carboxamide
CID 79628739
1-amino-3-indazol-1-ylcyclohexane-1-carboxamide
CID 79637456
1-amino-3-(1,3-dihydroisoindol-2-yl)cyclohexane-1-carboxylic acid
CID 79642312
1-amino-3-[3-(dimethylamino)piperidin-1-yl]cyclohexane-1-carboxamide
CID 79641518
(1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride
CID 119278406
1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxamide
CID 79650905
1-amino-3-[4-(methoxymethyl)piperidin-1-yl]cyclohexane-1-carboxamide
CID 79642191
(1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride
CID 119316131
2-(3-phenylpyrrolidin-1-yl)cycloheptan-1-amine
CID 62133199
1-amino-3-(4-piperidin-1-ylpiperidin-1-yl)cyclopentane-1-carboxamide
CID 79646142
(1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone
CID 119770810

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-phenylpyrrolidin-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-(3-phenylpyrrolidin-1-yl)cyclohexane-1-carboxamide (CID 79626357) is 1-amino-3-(3-phenylpyrrolidin-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(3-phenylpyrrolidin-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-(3-phenylpyrrolidin-1-yl)cyclohexane-1-carboxamide is NC(=O)C1(N)CCCC(N2CCC(c3ccccc3)C2)C1.
What is the InChIKey of 1-amino-3-(3-phenylpyrrolidin-1-yl)cyclohexane-1-carboxamide?
The InChIKey is INCWYQUMNHYGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-16(21)17(19)9-4-7-15(11-17)20-10-8-14(12-20)13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12,19H2,(H2,18,21).
What are the key properties of 1-amino-3-(3-phenylpyrrolidin-1-yl)cyclohexane-1-carboxamide?
1-amino-3-(3-phenylpyrrolidin-1-yl)cyclohexane-1-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-phenylpyrrolidin-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79626357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).