1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione

C20H20N4O3 — CID 97141855

IUPAC1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
SMILESO=C1CN(c2ccc(C(=O)N3CCN[C@@H](c4ccccc4)C3)cc2)C(=O)N1
InChIInChI=1S/C20H20N4O3/c25-18-13-24(20(27)22-18)16-8-6-15(7-9-16)19(26)23-11-10-21-17(12-23)14-4-2-1-3-5-14/h1-9,17,21H,10-13H2,(H,22,25,27)/t17-/m1/s1
InChIKeyUATJQWGUGLMQCR-QGZVFWFLSA-N
MW364.41 g/mol
LogP1.53
Rot. Bonds3

About 1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione

1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione (PubChem CID 97141855) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
PubChem CID97141855
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
SMILESO=C1CN(c2ccc(C(=O)N3CCN[C@@H](c4ccccc4)C3)cc2)C(=O)N1
InChIInChI=1S/C20H20N4O3/c25-18-13-24(20(27)22-18)16-8-6-15(7-9-16)19(26)23-11-10-21-17(12-23)14-4-2-1-3-5-14/h1-9,17,21H,10-13H2,(H,22,25,27)/t17-/m1/s1
InChIKeyUATJQWGUGLMQCR-QGZVFWFLSA-N
XLogP1.53
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

phenyl-(3-phenylpiperazin-1-yl)methanone
CID 82246904
N-benzyl-4-(3-phenylpiperazine-1-carbonyl)benzamide
CID 135236329
(3-phenylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 72928198
[(3R)-3-phenylpiperazin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 97150781
(2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone
CID 72886763
phenyl-(5-phenyl-1,4-diazepan-1-yl)methanone
CID 51351002
1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
CID 72908605
6-(3-phenylpiperazine-1-carbonyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 167870920
1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
CID 72847879
(4-bromophenyl)-(3-phenylpiperazin-1-yl)methanone;(3-phenylpiperazin-1-yl)-[4-[2-(trifluoromethyl)phenyl]phenyl]methanone
CID 159069067
3-oxo-3-(3-phenylpiperazin-1-yl)propanenitrile
CID 110477949
1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 120748028

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione (CID 97141855) is 1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione is O=C1CN(c2ccc(C(=O)N3CCN[C@@H](c4ccccc4)C3)cc2)C(=O)N1.
What is the InChIKey of 1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The InChIKey is UATJQWGUGLMQCR-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-18-13-24(20(27)22-18)16-8-6-15(7-9-16)19(26)23-11-10-21-17(12-23)14-4-2-1-3-5-14/h1-9,17,21H,10-13H2,(H,22,25,27)/t17-/m1/s1.
What are the key properties of 1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 364.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 97141855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).