1-[3-[(2R)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea

C22H27FN4O2 — CID 124743461

IUPAC1-[3-[(2R)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cccc(C(=O)N2CCN(c3ccccc3F)C[C@H]2C)c1
InChIInChI=1S/C22H27FN4O2/c1-15(2)24-22(29)25-18-8-6-7-17(13-18)21(28)27-12-11-26(14-16(27)3)20-10-5-4-9-19(20)23/h4-10,13,15-16H,11-12,14H2,1-3H3,(H2,24,25,29)/t16-/m1/s1
InChIKeyYWLXUOWJHNQRRW-MRXNPFEDSA-N
MW398.48 g/mol
LogP3.71
Rot. Bonds4

About 1-[3-[(2R)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea

1-[3-[(2R)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea (PubChem CID 124743461) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 1-[3-[(2R)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[3-[(2R)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
PubChem CID124743461
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name1-[3-[(2R)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cccc(C(=O)N2CCN(c3ccccc3F)C[C@H]2C)c1
InChIInChI=1S/C22H27FN4O2/c1-15(2)24-22(29)25-18-8-6-7-17(13-18)21(28)27-12-11-26(14-16(27)3)20-10-5-4-9-19(20)23/h4-10,13,15-16H,11-12,14H2,1-3H3,(H2,24,25,29)/t16-/m1/s1
InChIKeyYWLXUOWJHNQRRW-MRXNPFEDSA-N
XLogP3.71
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-[(2R)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide
CID 124846255
N-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide
CID 119046286
1-[1-(4-benzoyl-3-methylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-(3-bromophenyl)urea
CID 42706719
1-[4-[(3R)-4-(2,6-difluorobenzoyl)-3-methylpiperazin-1-yl]-3-fluorophenyl]ethanone
CID 1307415
1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 119435979
1-[3-[(2R)-2-[(dimethylamino)methyl]piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 95152061
1-[3-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120734964
1-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-propan-2-ylurea
CID 51095578
1-propan-2-yl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]urea
CID 52724176
[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
CID 136564992
(3-cyclopropyl-1-methylpyrazol-4-yl)-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]methanone
CID 126806453
N-[3-(2-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 2937708

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[3-[(2R)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea (CID 124743461) is 1-[3-[(2R)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[3-[(2R)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[3-[(2R)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1cccc(C(=O)N2CCN(c3ccccc3F)C[C@H]2C)c1.
What is the InChIKey of 1-[3-[(2R)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The InChIKey is YWLXUOWJHNQRRW-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-15(2)24-22(29)25-18-8-6-7-17(13-18)21(28)27-12-11-26(14-16(27)3)20-10-5-4-9-19(20)23/h4-10,13,15-16H,11-12,14H2,1-3H3,(H2,24,25,29)/t16-/m1/s1.
What are the key properties of 1-[3-[(2R)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea?
1-[3-[(2R)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea has a molecular weight of 398.48 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 124743461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).