cyclohexyl-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]methanone

C20H30N2O — CID 70785544

IUPACcyclohexyl-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc([C@@H]2CN(C(=O)C3CCCCC3)C[C@H]2N(C)C)cc1
InChIInChI=1S/C20H30N2O/c1-15-9-11-16(12-10-15)18-13-22(14-19(18)21(2)3)20(23)17-7-5-4-6-8-17/h9-12,17-19H,4-8,13-14H2,1-3H3/t18-,19+/m0/s1
InChIKeyAZIPKPZPSGSWOG-RBUKOAKNSA-N
MW314.47 g/mol
LogP3.43
Rot. Bonds3

About cyclohexyl-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]methanone

cyclohexyl-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 70785544) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is cyclohexyl-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID70785544
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Namecyclohexyl-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc([C@@H]2CN(C(=O)C3CCCCC3)C[C@H]2N(C)C)cc1
InChIInChI=1S/C20H30N2O/c1-15-9-11-16(12-10-15)18-13-22(14-19(18)21(2)3)20(23)17-7-5-4-6-8-17/h9-12,17-19H,4-8,13-14H2,1-3H3/t18-,19+/m0/s1
InChIKeyAZIPKPZPSGSWOG-RBUKOAKNSA-N
XLogP3.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]-2-hydroxyethanone
CID 72929443
(3S,4R)-3-(dimethylamino)-N-ethyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 70761953
1-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]pent-3-en-1-one
CID 91940500
1-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]-2-phenylsulfanylethanone
CID 70748789
cyclopentyl-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]methanone
CID 110369056
[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 70746127
1-[(3R,4S)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 164633120
1-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 70745019
cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
2-(5-acetylthiophen-3-yl)-1-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]ethanone
CID 70723093
cyclohexyl-[5-methyl-2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110369447
1-[3-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 70712257

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]methanone (CID 70785544) is cyclohexyl-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]methanone is Cc1ccc([C@@H]2CN(C(=O)C3CCCCC3)C[C@H]2N(C)C)cc1.
What is the InChIKey of cyclohexyl-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is AZIPKPZPSGSWOG-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H30N2O/c1-15-9-11-16(12-10-15)18-13-22(14-19(18)21(2)3)20(23)17-7-5-4-6-8-17/h9-12,17-19H,4-8,13-14H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of cyclohexyl-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]methanone?
cyclohexyl-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 314.47 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70785544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).