(3S)-1-phenyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrrolidin-2-one

C18H22N4O — CID 95763143

IUPAC(3S)-1-phenyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrrolidin-2-one
SMILESO=C1[C@@H](N2CCC[C@H](c3ccn[nH]3)C2)CCN1c1ccccc1
InChIInChI=1S/C18H22N4O/c23-18-17(9-12-22(18)15-6-2-1-3-7-15)21-11-4-5-14(13-21)16-8-10-19-20-16/h1-3,6-8,10,14,17H,4-5,9,11-13H2,(H,19,20)/t14-,17-/m0/s1
InChIKeyZOKDBHGUJSGGNP-YOEHRIQHSA-N
MW310.40 g/mol
LogP2.39
Rot. Bonds3

About (3S)-1-phenyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrrolidin-2-one

(3S)-1-phenyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrrolidin-2-one (PubChem CID 95763143) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (3S)-1-phenyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-phenyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrrolidin-2-one
PubChem CID95763143
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(3S)-1-phenyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrrolidin-2-one
SMILESO=C1[C@@H](N2CCC[C@H](c3ccn[nH]3)C2)CCN1c1ccccc1
InChIInChI=1S/C18H22N4O/c23-18-17(9-12-22(18)15-6-2-1-3-7-15)21-11-4-5-14(13-21)16-8-10-19-20-16/h1-3,6-8,10,14,17H,4-5,9,11-13H2,(H,19,20)/t14-,17-/m0/s1
InChIKeyZOKDBHGUJSGGNP-YOEHRIQHSA-N
XLogP2.39
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-phenyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrrolidin-2-one?
The IUPAC name of (3S)-1-phenyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrrolidin-2-one (CID 95763143) is (3S)-1-phenyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-phenyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrrolidin-2-one?
The canonical SMILES for (3S)-1-phenyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrrolidin-2-one is O=C1[C@@H](N2CCC[C@H](c3ccn[nH]3)C2)CCN1c1ccccc1.
What is the InChIKey of (3S)-1-phenyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrrolidin-2-one?
The InChIKey is ZOKDBHGUJSGGNP-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18-17(9-12-22(18)15-6-2-1-3-7-15)21-11-4-5-14(13-21)16-8-10-19-20-16/h1-3,6-8,10,14,17H,4-5,9,11-13H2,(H,19,20)/t14-,17-/m0/s1.
What are the key properties of (3S)-1-phenyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrrolidin-2-one?
(3S)-1-phenyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrrolidin-2-one has a molecular weight of 310.40 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-phenyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 95763143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).