(4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one

C19H22N4O2 — CID 95158638

IUPAC(4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C19H22N4O2/c24-18-12-15(13-22(18)16-6-2-1-3-7-16)19(25)21-10-4-8-17(14-21)23-11-5-9-20-23/h1-3,5-7,9,11,15,17H,4,8,10,12-14H2/t15-,17-/m1/s1
InChIKeyLTTBQLKBTBMKQQ-NVXWUHKLSA-N
MW338.41 g/mol
LogP2.10
Rot. Bonds3

About (4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95158638) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID95158638
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C19H22N4O2/c24-18-12-15(13-22(18)16-6-2-1-3-7-16)19(25)21-10-4-8-17(14-21)23-11-5-9-20-23/h1-3,5-7,9,11,15,17H,4,8,10,12-14H2/t15-,17-/m1/s1
InChIKeyLTTBQLKBTBMKQQ-NVXWUHKLSA-N
XLogP2.10
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146
(4S)-1-(cyclopropylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158276
(4R)-1-(cyclopropylmethyl)-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158273
4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110633189
4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 155976717
1-phenyl-4-(pyrazole-1-carbonyl)pyrrolidin-2-one
CID 110465044
4-[3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 126945157
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
(4S)-1-(furan-2-ylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95273779
4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 90505007
1-[4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 95337402

Frequently Asked Questions

What is the IUPAC name of (4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one (CID 95158638) is (4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one is O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCC[C@@H](n2cccn2)C1.
What is the InChIKey of (4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is LTTBQLKBTBMKQQ-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18-12-15(13-22(18)16-6-2-1-3-7-16)19(25)21-10-4-8-17(14-21)23-11-5-9-20-23/h1-3,5-7,9,11,15,17H,4,8,10,12-14H2/t15-,17-/m1/s1.
What are the key properties of (4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95158638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).