2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone

C22H33N3O — CID 46978264

IUPAC2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(C(c1ccccc1)N1CCCCC1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C22H33N3O/c26-22(25-17-11-20(12-18-25)23-13-7-8-14-23)21(19-9-3-1-4-10-19)24-15-5-2-6-16-24/h1,3-4,9-10,20-21H,2,5-8,11-18H2
InChIKeyYDLSLTVBMWCJDC-UHFFFAOYSA-N
MW355.53 g/mol
LogP3.30
Rot. Bonds4

About 2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone

2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 46978264) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
PubChem CID46978264
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(C(c1ccccc1)N1CCCCC1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C22H33N3O/c26-22(25-17-11-20(12-18-25)23-13-7-8-14-23)21(19-9-3-1-4-10-19)24-15-5-2-6-16-24/h1,3-4,9-10,20-21H,2,5-8,11-18H2
InChIKeyYDLSLTVBMWCJDC-UHFFFAOYSA-N
XLogP3.30
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119843387
(2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 94797745
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17477999
N-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 86888388
1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid
CID 119349525
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
(2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 8597142
(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 119842941
2-(4-hydroxypiperidin-1-yl)-1-(3-morpholin-4-ylpyrrolidin-1-yl)-2-phenylethanone
CID 127361433

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone (CID 46978264) is 2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone is O=C(C(c1ccccc1)N1CCCCC1)N1CCC(N2CCCC2)CC1.
What is the InChIKey of 2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is YDLSLTVBMWCJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c26-22(25-17-11-20(12-18-25)23-13-7-8-14-23)21(19-9-3-1-4-10-19)24-15-5-2-6-16-24/h1,3-4,9-10,20-21H,2,5-8,11-18H2.
What are the key properties of 2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 355.53 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 46978264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).