(3-ethyl-7,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-piperazin-1-ylmethanone

C24H36N2O — CID 162526154

IUPAC(3-ethyl-7,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-piperazin-1-ylmethanone
SMILESCCC1(C(=O)N2CCNCC2)CC2CC(C)(C)CC(c3ccccc3)(C2)C1
InChIInChI=1S/C24H36N2O/c1-4-23(21(27)26-12-10-25-11-13-26)15-19-14-22(2,3)17-24(16-19,18-23)20-8-6-5-7-9-20/h5-9,19,25H,4,10-18H2,1-3H3
InChIKeyMNUZJHGNGSTAER-UHFFFAOYSA-N
MW368.57 g/mol
LogP4.37
Rot. Bonds3

About (3-ethyl-7,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-piperazin-1-ylmethanone

(3-ethyl-7,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-piperazin-1-ylmethanone (PubChem CID 162526154) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is (3-ethyl-7,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(3-ethyl-7,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-piperazin-1-ylmethanone
PubChem CID162526154
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Name(3-ethyl-7,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-piperazin-1-ylmethanone
SMILESCCC1(C(=O)N2CCNCC2)CC2CC(C)(C)CC(c3ccccc3)(C2)C1
InChIInChI=1S/C24H36N2O/c1-4-23(21(27)26-12-10-25-11-13-26)15-19-14-22(2,3)17-24(16-19,18-23)20-8-6-5-7-9-20/h5-9,19,25H,4,10-18H2,1-3H3
InChIKeyMNUZJHGNGSTAER-UHFFFAOYSA-N
XLogP4.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-ethyl-7,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-piperazin-1-ylmethanone with MolForge

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Related Compounds

(2-ethylpiperazin-1-yl)-(3,7,7-trimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)methanone
CID 142520069
1,4-diazepan-1-yl-(3-phenyl-1-adamantyl)methanone
CID 130269344
2,7-diazaspiro[3.5]nonan-7-yl-(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)methanone
CID 163701318
(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 130269978
(3R,5R)-3-methyl-5-phenyladamantane-1-carboxylic acid
CID 137435972
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]ethanone
CID 158432372
(4-aminoazepan-1-yl)-(3-methyl-5-phenyl-1-adamantyl)methanone
CID 142519878
4-aminopiperidine-1-carbaldehyde;3-ethyl-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane
CID 162525574
3-phenyl-5-(pyrrolidine-1-carbonyl)adamantane-1-carboxylic acid
CID 130247690
(3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide
CID 137435862
(4-ethylpiperidin-4-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 63129026
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-7,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-piperazin-1-ylmethanone?
The IUPAC name of (3-ethyl-7,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-piperazin-1-ylmethanone (CID 162526154) is (3-ethyl-7,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (3-ethyl-7,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-piperazin-1-ylmethanone?
The canonical SMILES for (3-ethyl-7,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-piperazin-1-ylmethanone is CCC1(C(=O)N2CCNCC2)CC2CC(C)(C)CC(c3ccccc3)(C2)C1.
What is the InChIKey of (3-ethyl-7,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-piperazin-1-ylmethanone?
The InChIKey is MNUZJHGNGSTAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O/c1-4-23(21(27)26-12-10-25-11-13-26)15-19-14-22(2,3)17-24(16-19,18-23)20-8-6-5-7-9-20/h5-9,19,25H,4,10-18H2,1-3H3.
What are the key properties of (3-ethyl-7,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-piperazin-1-ylmethanone?
(3-ethyl-7,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-piperazin-1-ylmethanone has a molecular weight of 368.57 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-7,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 162526154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).