[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-piperidin-1-ylmethanone

C20H27ClN2O — CID 22896740

IUPAC[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-piperidin-1-ylmethanone
SMILESCN1C2CCC1C(C(=O)N1CCCCC1)C(c1ccc(Cl)cc1)C2
InChIInChI=1S/C20H27ClN2O/c1-22-16-9-10-18(22)19(20(24)23-11-3-2-4-12-23)17(13-16)14-5-7-15(21)8-6-14/h5-8,16-19H,2-4,9-13H2,1H3
InChIKeyMEFDIGWKZIICLQ-UHFFFAOYSA-N
MW346.90 g/mol
LogP3.92
Rot. Bonds2

About [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-piperidin-1-ylmethanone

[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-piperidin-1-ylmethanone (PubChem CID 22896740) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-piperidin-1-ylmethanone
PubChem CID22896740
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-piperidin-1-ylmethanone
SMILESCN1C2CCC1C(C(=O)N1CCCCC1)C(c1ccc(Cl)cc1)C2
InChIInChI=1S/C20H27ClN2O/c1-22-16-9-10-18(22)19(20(24)23-11-3-2-4-12-23)17(13-16)14-5-7-15(21)8-6-14/h5-8,16-19H,2-4,9-13H2,1H3
InChIKeyMEFDIGWKZIICLQ-UHFFFAOYSA-N
XLogP3.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

3-(4-chlorophenyl)-N-methoxy-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 22896752
1-[3-(3-Chloro-4-iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-propan-1-one
CID 44381232
2-(4-Chloro-phenyl)-1-(2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethanone(HCl)
CID 14810963
3-(4-chlorophenyl)-N-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 22896750
(3S,5R)-3-(4-chlorophenyl)-N,N,8-trimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 44295882
[3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-pyrrolidin-1-yl-methanone
CID 44295887
1-[4-[4-[(4-Chlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 44389695
2-(4-Chloro-phenyl)-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-N-methyl-acetamide
CID 44392105
5-(4-Chloro-phenyl)-1-methyl-piperidin-2-one
CID 12012177
3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid amide
CID 9944706
[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-pyrrolidin-1-ylmethanone
CID 9996912
3-(4-chlorophenyl)-N-[8-[[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carbonyl]amino]octyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 10439429

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-piperidin-1-ylmethanone (CID 22896740) is [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-piperidin-1-ylmethanone is CN1C2CCC1C(C(=O)N1CCCCC1)C(c1ccc(Cl)cc1)C2.
What is the InChIKey of [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-piperidin-1-ylmethanone?
The InChIKey is MEFDIGWKZIICLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O/c1-22-16-9-10-18(22)19(20(24)23-11-3-2-4-12-23)17(13-16)14-5-7-15(21)8-6-14/h5-8,16-19H,2-4,9-13H2,1H3.
What are the key properties of [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-piperidin-1-ylmethanone?
[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-piperidin-1-ylmethanone has a molecular weight of 346.90 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 22896740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).