2-phenyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone

C20H26N4O — CID 86773370

IUPAC2-phenyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(C(c1ccccc1)N1CCC(c2cn[nH]c2)CC1)N1CCCC1
InChIInChI=1S/C20H26N4O/c25-20(24-10-4-5-11-24)19(17-6-2-1-3-7-17)23-12-8-16(9-13-23)18-14-21-22-15-18/h1-3,6-7,14-16,19H,4-5,8-13H2,(H,21,22)
InChIKeyWCSVHUDLJMUYIZ-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.95
Rot. Bonds4

About 2-phenyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone

2-phenyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 86773370) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-phenyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-phenyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID86773370
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name2-phenyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(C(c1ccccc1)N1CCC(c2cn[nH]c2)CC1)N1CCCC1
InChIInChI=1S/C20H26N4O/c25-20(24-10-4-5-11-24)19(17-6-2-1-3-7-17)23-12-8-16(9-13-23)18-14-21-22-15-18/h1-3,6-7,14-16,19H,4-5,8-13H2,(H,21,22)
InChIKeyWCSVHUDLJMUYIZ-UHFFFAOYSA-N
XLogP2.95
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17477999
1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide
CID 9134665
N-methyl-N-[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)piperidin-4-yl]methanesulfonamide
CID 48736574
2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 46978264
N-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 41099612
3,4-dihydro-2H-quinolin-1-yl-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone
CID 24896062
(2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 8597142
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-yl-2-phenylethanone
CID 42886214
3-amino-2-methyl-3-phenyl-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 119888376
N-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 86888388

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-phenyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone (CID 86773370) is 2-phenyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-phenyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-phenyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone is O=C(C(c1ccccc1)N1CCC(c2cn[nH]c2)CC1)N1CCCC1.
What is the InChIKey of 2-phenyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is WCSVHUDLJMUYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c25-20(24-10-4-5-11-24)19(17-6-2-1-3-7-17)23-12-8-16(9-13-23)18-14-21-22-15-18/h1-3,6-7,14-16,19H,4-5,8-13H2,(H,21,22).
What are the key properties of 2-phenyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
2-phenyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 338.45 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 86773370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).