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

C17H24N2O — CID 47010733

IUPAC2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
SMILESO=C(C(c1ccccc1)N1CCCC1)N1CCCCC1
InChIInChI=1S/C17H24N2O/c20-17(19-13-5-2-6-14-19)16(18-11-7-8-12-18)15-9-3-1-4-10-15/h1,3-4,9-10,16H,2,5-8,11-14H2
InChIKeySZPJBMKJHXNHJV-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.84
Rot. Bonds3

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

2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone (PubChem CID 47010733) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
PubChem CID47010733
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
SMILESO=C(C(c1ccccc1)N1CCCC1)N1CCCCC1
InChIInChI=1S/C17H24N2O/c20-17(19-13-5-2-6-14-19)16(18-11-7-8-12-18)15-9-3-1-4-10-15/h1,3-4,9-10,16H,2,5-8,11-14H2
InChIKeySZPJBMKJHXNHJV-UHFFFAOYSA-N
XLogP2.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
(2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 8597142
2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 46978264
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17477999
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide
CID 17438630
(2S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-2-pyrrolidin-1-ylethanone
CID 94750035
tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate
CID 60587742
1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide
CID 9134665
2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 119918296
2-phenyl-1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78738418
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone?
The IUPAC name of 2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone (CID 47010733) is 2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone is O=C(C(c1ccccc1)N1CCCC1)N1CCCCC1.
What is the InChIKey of 2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone?
The InChIKey is SZPJBMKJHXNHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(19-13-5-2-6-14-19)16(18-11-7-8-12-18)15-9-3-1-4-10-15/h1,3-4,9-10,16H,2,5-8,11-14H2.
What are the key properties of 2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone?
2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone has a molecular weight of 272.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 47010733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).