(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)-[(2S)-2-methylpiperazin-1-yl]methanone

C22H30N2O — CID 130269978

IUPAC(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CNCCN1C(=O)C12CC3CC(c4ccccc4)(CC1(C)C3)C2
InChIInChI=1S/C22H30N2O/c1-16-13-23-8-9-24(16)19(25)22-12-17-10-20(22,2)14-21(11-17,15-22)18-6-4-3-5-7-18/h3-7,16-17,23H,8-15H2,1-2H3/t16-,17?,20?,21?,22?/m0/s1
InChIKeyYJFFKIHHGKEGRN-JXGUDTJUSA-N
MW338.50 g/mol
LogP3.34
Rot. Bonds2

About (7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)-[(2S)-2-methylpiperazin-1-yl]methanone

(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)-[(2S)-2-methylpiperazin-1-yl]methanone (PubChem CID 130269978) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is (7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)-[(2S)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)-[(2S)-2-methylpiperazin-1-yl]methanone
PubChem CID130269978
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CNCCN1C(=O)C12CC3CC(c4ccccc4)(CC1(C)C3)C2
InChIInChI=1S/C22H30N2O/c1-16-13-23-8-9-24(16)19(25)22-12-17-10-20(22,2)14-21(11-17,15-22)18-6-4-3-5-7-18/h3-7,16-17,23H,8-15H2,1-2H3/t16-,17?,20?,21?,22?/m0/s1
InChIKeyYJFFKIHHGKEGRN-JXGUDTJUSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)-[(2S)-2-methylpiperazin-1-yl]methanone with MolForge

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Related Compounds

2,7-diazaspiro[3.5]nonan-7-yl-(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)methanone
CID 163701318
(2-ethylpiperazin-1-yl)-(3,7,7-trimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)methanone
CID 142520069
(2-methylpiperazin-1-yl)-(4-phenyloxan-4-yl)methanone
CID 82250270
(3-ethyl-7,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-piperazin-1-ylmethanone
CID 162526154
N-[1-[(2S)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide;hydrochloride
CID 166176525
(1R,7R)-7-(2-fluoroethyl)-1-phenyl-N-piperazin-1-yltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 166908862
(3R,5R)-3-methyl-5-phenyladamantane-1-carboxylic acid
CID 137435972
(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 107690427
2-methyl-1-(2-methylpiperazin-1-yl)-2-phenylpropan-1-one
CID 62673288
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
(2-methylpiperazin-1-yl)-(2-phenylcyclopropyl)methanone
CID 81478367
(2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704843

Frequently Asked Questions

What is the IUPAC name of (7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)-[(2S)-2-methylpiperazin-1-yl]methanone (CID 130269978) is (7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)-[(2S)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)-[(2S)-2-methylpiperazin-1-yl]methanone is C[C@H]1CNCCN1C(=O)C12CC3CC(c4ccccc4)(CC1(C)C3)C2.
What is the InChIKey of (7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The InChIKey is YJFFKIHHGKEGRN-JXGUDTJUSA-N. The full InChI is InChI=1S/C22H30N2O/c1-16-13-23-8-9-24(16)19(25)22-12-17-10-20(22,2)14-21(11-17,15-22)18-6-4-3-5-7-18/h3-7,16-17,23H,8-15H2,1-2H3/t16-,17?,20?,21?,22?/m0/s1.
What are the key properties of (7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)-[(2S)-2-methylpiperazin-1-yl]methanone?
(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)-[(2S)-2-methylpiperazin-1-yl]methanone has a molecular weight of 338.50 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)-[(2S)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 130269978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).