3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide

C18H27N3O — CID 119831684

IUPAC3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NC2CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C18H27N3O/c19-16-8-4-7-15(11-16)18(22)20-17-9-10-21(13-17)12-14-5-2-1-3-6-14/h1-3,5-6,15-17H,4,7-13,19H2,(H,20,22)
InChIKeyKUBLZSXFATXGHV-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.89
Rot. Bonds4

About 3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide

3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide (PubChem CID 119831684) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide
PubChem CID119831684
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NC2CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C18H27N3O/c19-16-8-4-7-15(11-16)18(22)20-17-9-10-21(13-17)12-14-5-2-1-3-6-14/h1-3,5-6,15-17H,4,7-13,19H2,(H,20,22)
InChIKeyKUBLZSXFATXGHV-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide 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

3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119855968
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide
CID 119886001
N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 119831668
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
CID 63005959
N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide
CID 119855944
3-amino-N-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide;trihydrochloride
CID 119900981
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-(1-benzylpyrrolidin-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 75460856
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
CID 43424739
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide (CID 119831684) is 3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide is NC1CCCC(C(=O)NC2CCN(Cc3ccccc3)C2)C1.
What is the InChIKey of 3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide?
The InChIKey is KUBLZSXFATXGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c19-16-8-4-7-15(11-16)18(22)20-17-9-10-21(13-17)12-14-5-2-1-3-6-14/h1-3,5-6,15-17H,4,7-13,19H2,(H,20,22).
What are the key properties of 3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide?
3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119831684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).