N-[(1S,5S,6S)-3-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide

C17H22N2O — CID 118878191

IUPACN-[(1S,5S,6S)-3-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide
SMILESC[C@H]1[C@H]2CN(Cc3ccccc3)C[C@@]21NC(=O)C1CC1
InChIInChI=1S/C17H22N2O/c1-12-15-10-19(9-13-5-3-2-4-6-13)11-17(12,15)18-16(20)14-7-8-14/h2-6,12,14-15H,7-11H2,1H3,(H,18,20)/t12-,15+,17-/m0/s1
InChIKeyKBWXVVGRZMKAHQ-MJEQTWJJSA-N
MW270.38 g/mol
LogP2.03
Rot. Bonds4

About N-[(1S,5S,6S)-3-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide

N-[(1S,5S,6S)-3-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide (PubChem CID 118878191) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(1S,5S,6S)-3-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1S,5S,6S)-3-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide
PubChem CID118878191
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(1S,5S,6S)-3-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide
SMILESC[C@H]1[C@H]2CN(Cc3ccccc3)C[C@@]21NC(=O)C1CC1
InChIInChI=1S/C17H22N2O/c1-12-15-10-19(9-13-5-3-2-4-6-13)11-17(12,15)18-16(20)14-7-8-14/h2-6,12,14-15H,7-11H2,1H3,(H,18,20)/t12-,15+,17-/m0/s1
InChIKeyKBWXVVGRZMKAHQ-MJEQTWJJSA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S,5S,6S)-3-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide 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

methyl (3S)-1-benzyl-5,5-difluoropiperidine-3-carboxylate
CID 97357046
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
[(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid
CID 20792051
methyl (3S,4S)-1-benzyl-3,4-dimethylpyrrolidine-3-carboxylate
CID 135055291
(3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)carbamic acid
CID 126511178
1-benzyl-4,4-dimethylpyrrolidine-3-carboxylic acid
CID 5081554
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]oxane-4-carboxamide
CID 124829531
[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-phenylmethanone
CID 69456850
methyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate
CID 129499579
methyl (3S,4S)-1,3-dibenzyl-4-methylpyrrolidine-3-carboxylate
CID 101214366
N-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 70655630

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6S)-3-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(1S,5S,6S)-3-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide (CID 118878191) is N-[(1S,5S,6S)-3-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1S,5S,6S)-3-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1S,5S,6S)-3-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide is C[C@H]1[C@H]2CN(Cc3ccccc3)C[C@@]21NC(=O)C1CC1.
What is the InChIKey of N-[(1S,5S,6S)-3-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide?
The InChIKey is KBWXVVGRZMKAHQ-MJEQTWJJSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-15-10-19(9-13-5-3-2-4-6-13)11-17(12,15)18-16(20)14-7-8-14/h2-6,12,14-15H,7-11H2,1H3,(H,18,20)/t12-,15+,17-/m0/s1.
What are the key properties of N-[(1S,5S,6S)-3-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide?
N-[(1S,5S,6S)-3-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide has a molecular weight of 270.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6S)-3-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide is sourced from PubChem (CID 118878191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).