3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one

C18H26N2O — CID 116559712

IUPAC3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one
SMILESO=C(CCc1ccccc1)C1CCCN1C1CCNCC1
InChIInChI=1S/C18H26N2O/c21-18(9-8-15-5-2-1-3-6-15)17-7-4-14-20(17)16-10-12-19-13-11-16/h1-3,5-6,16-17,19H,4,7-14H2
InChIKeyXHHXPDLHQODUMV-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.40
Rot. Bonds5

About 3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one

3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one (PubChem CID 116559712) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one
PubChem CID116559712
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one
SMILESO=C(CCc1ccccc1)C1CCCN1C1CCNCC1
InChIInChI=1S/C18H26N2O/c21-18(9-8-15-5-2-1-3-6-15)17-7-4-14-20(17)16-10-12-19-13-11-16/h1-3,5-6,16-17,19H,4,7-14H2
InChIKeyXHHXPDLHQODUMV-UHFFFAOYSA-N
XLogP2.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
CID 116559754
4-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)pent-4-en-1-one
CID 114477895
(4-fluorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 116559689
3-phenyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]propan-1-one
CID 93394731
(2-methylphenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 116559771
2-(2-amino-3-pyridinyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
CID 116559796
3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one
CID 116559668
2-(3-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
CID 116559759
1-piperidin-4-ylpiperidine-2-carboxylic acid
CID 21098979
(3,4-dichlorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 116559770
2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid
CID 61158377
1-cyclopropyl-3-phenylpropan-1-one
CID 24725607

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one?
The IUPAC name of 3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one (CID 116559712) is 3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one.
What is the SMILES notation for 3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one?
The canonical SMILES for 3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one is O=C(CCc1ccccc1)C1CCCN1C1CCNCC1.
What is the InChIKey of 3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one?
The InChIKey is XHHXPDLHQODUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(9-8-15-5-2-1-3-6-15)17-7-4-14-20(17)16-10-12-19-13-11-16/h1-3,5-6,16-17,19H,4,7-14H2.
What are the key properties of 3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one?
3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one has a molecular weight of 286.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one is sourced from PubChem (CID 116559712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).