3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one

C19H26N2O2 — CID 95713443

IUPAC3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one
SMILESO=C(CCc1ccccc1)[C@H]1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C19H26N2O2/c22-18(11-10-16-7-2-1-3-8-16)17-9-6-14-21(15-17)19(23)20-12-4-5-13-20/h1-3,7-8,17H,4-6,9-15H2/t17-/m0/s1
InChIKeyHZWUHJKMBRAILH-KRWDZBQOSA-N
MW314.43 g/mol
LogP3.12
Rot. Bonds4

About 3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one

3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one (PubChem CID 95713443) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one
PubChem CID95713443
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one
SMILESO=C(CCc1ccccc1)[C@H]1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C19H26N2O2/c22-18(11-10-16-7-2-1-3-8-16)17-9-6-14-21(15-17)19(23)20-12-4-5-13-20/h1-3,7-8,17H,4-6,9-15H2/t17-/m0/s1
InChIKeyHZWUHJKMBRAILH-KRWDZBQOSA-N
XLogP3.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[(3R)-3-(3-phenylpropanoyl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 96577086
1-[1-(5-methylthiophene-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one
CID 70760484
1-[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-3-phenylpropan-1-one
CID 56918400
N-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 120884310
1-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one
CID 70770080
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
(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967020
(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
azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone
CID 2930874

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one (CID 95713443) is 3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one is O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)N2CCCC2)C1.
What is the InChIKey of 3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one?
The InChIKey is HZWUHJKMBRAILH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-18(11-10-16-7-2-1-3-8-16)17-9-6-14-21(15-17)19(23)20-12-4-5-13-20/h1-3,7-8,17H,4-6,9-15H2/t17-/m0/s1.
What are the key properties of 3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one?
3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one has a molecular weight of 314.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one is sourced from PubChem (CID 95713443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).