2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone

C24H28N2O2 — CID 113002906

IUPAC2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)N1CCCC1
InChIInChI=1S/C24H28N2O2/c27-23(25-15-7-8-16-25)21-13-17-26(18-14-21)24(28)22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2
InChIKeyUNSQUKKJEKYIHZ-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.68
Rot. Bonds4

About 2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone

2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 113002906) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID113002906
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)N1CCCC1
InChIInChI=1S/C24H28N2O2/c27-23(25-15-7-8-16-25)21-13-17-26(18-14-21)24(28)22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2
InChIKeyUNSQUKKJEKYIHZ-UHFFFAOYSA-N
XLogP3.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone
CID 108533858
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
1-(2,2-diphenylacetyl)-N-methylpiperidine-4-carboxamide
CID 110350749
1-(3-hydroxypiperidin-1-yl)-2,2-diphenylethanone
CID 110868603
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17477999
2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 110406993
4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide
CID 47016173
2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 119297409
[1-(cyclohexanecarbonyl)piperidin-4-yl] 2,2-diphenylacetate
CID 67886001
1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554
1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110725272
2,2-diphenyl-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 2910235

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone (CID 113002906) is 2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone is O=C(C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)N1CCCC1.
What is the InChIKey of 2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is UNSQUKKJEKYIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-23(25-15-7-8-16-25)21-13-17-26(18-14-21)24(28)22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2.
What are the key properties of 2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone?
2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 376.50 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 113002906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).