2-methyl-1-[(3R)-3-(3-phenylpropanoyl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one

C22H32N2O2 — CID 96577086

IUPAC2-methyl-1-[(3R)-3-(3-phenylpropanoyl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCC[C@@H](C(=O)CCc2ccccc2)C1)N1CCCC1
InChIInChI=1S/C22H32N2O2/c1-22(2,24-15-6-7-16-24)21(26)23-14-8-11-19(17-23)20(25)13-12-18-9-4-3-5-10-18/h3-5,9-10,19H,6-8,11-17H2,1-2H3/t19-/m1/s1
InChIKeyPJMRXECIVGBCBA-LJQANCHMSA-N
MW356.51 g/mol
LogP3.30
Rot. Bonds6

About 2-methyl-1-[(3R)-3-(3-phenylpropanoyl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one

2-methyl-1-[(3R)-3-(3-phenylpropanoyl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 96577086) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-methyl-1-[(3R)-3-(3-phenylpropanoyl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(3R)-3-(3-phenylpropanoyl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
PubChem CID96577086
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-methyl-1-[(3R)-3-(3-phenylpropanoyl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCC[C@@H](C(=O)CCc2ccccc2)C1)N1CCCC1
InChIInChI=1S/C22H32N2O2/c1-22(2,24-15-6-7-16-24)21(26)23-14-8-11-19(17-23)20(25)13-12-18-9-4-3-5-10-18/h3-5,9-10,19H,6-8,11-17H2,1-2H3/t19-/m1/s1
InChIKeyPJMRXECIVGBCBA-LJQANCHMSA-N
XLogP3.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one
CID 95713443
1-[1-(5-methylthiophene-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one
CID 70760484
1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 47984523
1-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one
CID 70770080
(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967020
1-[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-3-phenylpropan-1-one
CID 56918400
1-cyclopropyl-3-phenylpropan-1-one
CID 24725607
3-chloro-5-[3-(3-phenylpropanoyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70732162
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one
CID 95714959
(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide
CID 102220745
1-cyclohexyl-4-phenylbutan-1-one
CID 11481636

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3R)-3-(3-phenylpropanoyl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-[(3R)-3-(3-phenylpropanoyl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one (CID 96577086) is 2-methyl-1-[(3R)-3-(3-phenylpropanoyl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-[(3R)-3-(3-phenylpropanoyl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-[(3R)-3-(3-phenylpropanoyl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one is CC(C)(C(=O)N1CCC[C@@H](C(=O)CCc2ccccc2)C1)N1CCCC1.
What is the InChIKey of 2-methyl-1-[(3R)-3-(3-phenylpropanoyl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is PJMRXECIVGBCBA-LJQANCHMSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-22(2,24-15-6-7-16-24)21(26)23-14-8-11-19(17-23)20(25)13-12-18-9-4-3-5-10-18/h3-5,9-10,19H,6-8,11-17H2,1-2H3/t19-/m1/s1.
What are the key properties of 2-methyl-1-[(3R)-3-(3-phenylpropanoyl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?
2-methyl-1-[(3R)-3-(3-phenylpropanoyl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 356.51 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3R)-3-(3-phenylpropanoyl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 96577086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).