[4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea

C20H24N4O2 — CID 37333541

IUPAC[4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea
SMILESCN1CCN(C(=O)c2ccc(CNC(N)=O)cc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C20H24N4O2/c1-23-11-12-24(18(14-23)16-5-3-2-4-6-16)19(25)17-9-7-15(8-10-17)13-22-20(21)26/h2-10,18H,11-14H2,1H3,(H3,21,22,26)/t18-/m0/s1
InChIKeyQATVTYSKNRVEMY-SFHVURJKSA-N
MW352.44 g/mol
LogP1.98
Rot. Bonds4

About [4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea

[4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea (PubChem CID 37333541) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea.

Molecular Properties

Compound Name[4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea
PubChem CID37333541
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea
SMILESCN1CCN(C(=O)c2ccc(CNC(N)=O)cc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C20H24N4O2/c1-23-11-12-24(18(14-23)16-5-3-2-4-6-16)19(25)17-9-7-15(8-10-17)13-22-20(21)26/h2-10,18H,11-14H2,1H3,(H3,21,22,26)/t18-/m0/s1
InChIKeyQATVTYSKNRVEMY-SFHVURJKSA-N
XLogP1.98
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
(2S)-N-benzyl-4-methyl-2-phenylpiperazine-1-carbothioamide
CID 9284271
4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-1-carboxamide
CID 136577422
1-(2-hydroxyethyl)-5-(4-methyl-2-phenylpiperazine-1-carbonyl)pyridin-2-one
CID 155962442
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
(4-methyl-2-phenylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanone
CID 42922853
(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 42891355
2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one
CID 134042687
(6-methoxy-3-pyridinyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333871
(2-anilinopyrimidin-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 97156878

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea?
The IUPAC name of [4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea (CID 37333541) is [4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea.
What is the SMILES notation for [4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea?
The canonical SMILES for [4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea is CN1CCN(C(=O)c2ccc(CNC(N)=O)cc2)[C@H](c2ccccc2)C1.
What is the InChIKey of [4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea?
The InChIKey is QATVTYSKNRVEMY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-23-11-12-24(18(14-23)16-5-3-2-4-6-16)19(25)17-9-7-15(8-10-17)13-22-20(21)26/h2-10,18H,11-14H2,1H3,(H3,21,22,26)/t18-/m0/s1.
What are the key properties of [4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea?
[4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea has a molecular weight of 352.44 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea is sourced from PubChem (CID 37333541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).