1-phenyl-2-piperidin-4-yl-2-pyrrolidin-3-ylethanone

C17H24N2O — CID 174253802

IUPAC1-phenyl-2-piperidin-4-yl-2-pyrrolidin-3-ylethanone
SMILESO=C(c1ccccc1)C(C1CCNCC1)C1CCNC1
InChIInChI=1S/C17H24N2O/c20-17(14-4-2-1-3-5-14)16(15-8-11-19-12-15)13-6-9-18-10-7-13/h1-5,13,15-16,18-19H,6-12H2
InChIKeyAWWMAHRFKCVFHR-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.09
Rot. Bonds4

About 1-phenyl-2-piperidin-4-yl-2-pyrrolidin-3-ylethanone

1-phenyl-2-piperidin-4-yl-2-pyrrolidin-3-ylethanone (PubChem CID 174253802) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-phenyl-2-piperidin-4-yl-2-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name1-phenyl-2-piperidin-4-yl-2-pyrrolidin-3-ylethanone
PubChem CID174253802
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-phenyl-2-piperidin-4-yl-2-pyrrolidin-3-ylethanone
SMILESO=C(c1ccccc1)C(C1CCNCC1)C1CCNC1
InChIInChI=1S/C17H24N2O/c20-17(14-4-2-1-3-5-14)16(15-8-11-19-12-15)13-6-9-18-10-7-13/h1-5,13,15-16,18-19H,6-12H2
InChIKeyAWWMAHRFKCVFHR-UHFFFAOYSA-N
XLogP2.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977078
phenyl-[(3R)-pyrrolidin-3-yl]methanone
CID 86327261
2-[methyl(piperidin-4-yl)amino]-1-phenylbutan-1-one
CID 62031886
3-phenyl-2-[(3S)-pyrrolidin-3-yl]propanoic acid
CID 166708021
1-phenyl-2-(piperidin-4-ylmethylsulfonyl)propan-1-one
CID 82182034
1-(4-aminophenyl)-2-pyrrolidin-3-ylpropan-1-one
CID 140980834
2-(2-chlorophenyl)-2-pyrrolidin-3-ylacetic acid
CID 82388192
(2-phenyl-1-pyrrolidin-3-ylethyl)carbamic acid
CID 67098900
3-phenyl-1-[(3R)-pyrrolidin-3-yl]prop-2-en-1-ol
CID 175283380
benzyl 2-amino-2-pyrrolidin-3-ylacetate
CID 71302808
(2R)-3-[3-(2-methylpropanoyl)phenyl]-2-[(3S)-pyrrolidin-3-yl]propanoic acid
CID 176774914
N-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 71836746

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-piperidin-4-yl-2-pyrrolidin-3-ylethanone?
The IUPAC name of 1-phenyl-2-piperidin-4-yl-2-pyrrolidin-3-ylethanone (CID 174253802) is 1-phenyl-2-piperidin-4-yl-2-pyrrolidin-3-ylethanone.
What is the SMILES notation for 1-phenyl-2-piperidin-4-yl-2-pyrrolidin-3-ylethanone?
The canonical SMILES for 1-phenyl-2-piperidin-4-yl-2-pyrrolidin-3-ylethanone is O=C(c1ccccc1)C(C1CCNCC1)C1CCNC1.
What is the InChIKey of 1-phenyl-2-piperidin-4-yl-2-pyrrolidin-3-ylethanone?
The InChIKey is AWWMAHRFKCVFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(14-4-2-1-3-5-14)16(15-8-11-19-12-15)13-6-9-18-10-7-13/h1-5,13,15-16,18-19H,6-12H2.
What are the key properties of 1-phenyl-2-piperidin-4-yl-2-pyrrolidin-3-ylethanone?
1-phenyl-2-piperidin-4-yl-2-pyrrolidin-3-ylethanone has a molecular weight of 272.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-piperidin-4-yl-2-pyrrolidin-3-ylethanone is sourced from PubChem (CID 174253802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).