[(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]azanium

C20H32N3O+ — CID 7406995

IUPAC[(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]azanium
SMILESC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C20H31N3O/c1-16-9-3-4-10-17(16)21-15-20(24)22-18-11-5-6-12-19(18)23-13-7-2-8-14-23/h5-6,11-12,16-17,21H,2-4,7-10,13-15H2,1H3,(H,22,24)/p+1/t16-,17-/m0/s1
InChIKeyXOWWJJUWINRWDK-IRXDYDNUSA-O
MW330.50 g/mol
LogP2.76
Rot. Bonds5

About [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]azanium

[(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]azanium (PubChem CID 7406995) has the molecular formula C20H32N3O+ and a molecular weight of 330.50 g/mol. Its IUPAC name is [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]azanium.

Molecular Properties

Compound Name[(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]azanium
PubChem CID7406995
Molecular FormulaC20H32N3O+
Molecular Weight330.50 g/mol
Exact Mass330.25
IUPAC Name[(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]azanium
SMILESC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C20H31N3O/c1-16-9-3-4-10-17(16)21-15-20(24)22-18-11-5-6-12-19(18)23-13-7-2-8-14-23/h5-6,11-12,16-17,21H,2-4,7-10,13-15H2,1H3,(H,22,24)/p+1/t16-,17-/m0/s1
InChIKeyXOWWJJUWINRWDK-IRXDYDNUSA-O
XLogP2.76
TPSA48.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]azanium with MolForge

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Related Compounds

N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
2-(cyclopentylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 43816730
trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 51931889
2-amino-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828044
N-[2-(azepan-1-yl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 128925593
3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
CID 119842100
2-(tert-butylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 78987037
[(1R,2R,3R)-2,3-dimethylcyclohexyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 11939600
2-(azetidin-3-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 64611833
N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 3226886
2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide
CID 119842058
5-hydroxy-N-(2-piperidin-1-ylphenyl)pentanamide
CID 79199095

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]azanium?
The IUPAC name of [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]azanium (CID 7406995) is [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]azanium.
What is the SMILES notation for [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]azanium?
The canonical SMILES for [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]azanium is C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1N1CCCCC1.
What is the InChIKey of [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]azanium?
The InChIKey is XOWWJJUWINRWDK-IRXDYDNUSA-O. The full InChI is InChI=1S/C20H31N3O/c1-16-9-3-4-10-17(16)21-15-20(24)22-18-11-5-6-12-19(18)23-13-7-2-8-14-23/h5-6,11-12,16-17,21H,2-4,7-10,13-15H2,1H3,(H,22,24)/p+1/t16-,17-/m0/s1.
What are the key properties of [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]azanium?
[(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]azanium has a molecular weight of 330.50 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]azanium is sourced from PubChem (CID 7406995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).