1-(3-fluorophenyl)-3-[[1-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperidin-3-yl]methyl]urea

C23H23F2N5O2 — CID 56504183

IUPAC1-(3-fluorophenyl)-3-[[1-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperidin-3-yl]methyl]urea
SMILESO=C(NCC1CCCN(C(=O)c2cncn2-c2ccc(F)cc2)C1)Nc1cccc(F)c1
InChIInChI=1S/C23H23F2N5O2/c24-17-6-8-20(9-7-17)30-15-26-13-21(30)22(31)29-10-2-3-16(14-29)12-27-23(32)28-19-5-1-4-18(25)11-19/h1,4-9,11,13,15-16H,2-3,10,12,14H2,(H2,27,28,32)
InChIKeyNMMCTJPGPKJGLB-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.82
Rot. Bonds5

About 1-(3-fluorophenyl)-3-[[1-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperidin-3-yl]methyl]urea

1-(3-fluorophenyl)-3-[[1-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperidin-3-yl]methyl]urea (PubChem CID 56504183) has the molecular formula C23H23F2N5O2 and a molecular weight of 439.47 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[[1-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[[1-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperidin-3-yl]methyl]urea
PubChem CID56504183
Molecular FormulaC23H23F2N5O2
Molecular Weight439.47 g/mol
Exact Mass439.18
IUPAC Name1-(3-fluorophenyl)-3-[[1-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperidin-3-yl]methyl]urea
SMILESO=C(NCC1CCCN(C(=O)c2cncn2-c2ccc(F)cc2)C1)Nc1cccc(F)c1
InChIInChI=1S/C23H23F2N5O2/c24-17-6-8-20(9-7-17)30-15-26-13-21(30)22(31)29-10-2-3-16(14-29)12-27-23(32)28-19-5-1-4-18(25)11-19/h1,4-9,11,13,15-16H,2-3,10,12,14H2,(H2,27,28,32)
InChIKeyNMMCTJPGPKJGLB-UHFFFAOYSA-N
XLogP3.82
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-fluorophenyl)imidazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395442
1-(3-fluorophenyl)-3-[[1-(4-pyrazol-1-ylbenzoyl)piperidin-3-yl]methyl]urea
CID 56503800
1-[[1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 56503165
1-(3-fluorophenyl)-3-[[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]methyl]urea
CID 56503675
1-[[(3S)-1-[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 52871823
1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 119310869
1-(3-fluorophenyl)-3-[[1-(4-oxo-3-phenylphthalazine-1-carbonyl)piperidin-3-yl]methyl]urea
CID 51134759
1-(3-fluorophenyl)-3-[[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]methyl]urea;hydrochloride
CID 119761798
N-[3-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]propanamide
CID 56504192
N-[[4-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]methyl]acetamide
CID 56504186
1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride
CID 119761796
1-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 56511706

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[[1-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperidin-3-yl]methyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[[1-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperidin-3-yl]methyl]urea (CID 56504183) is 1-(3-fluorophenyl)-3-[[1-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[[1-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperidin-3-yl]methyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[[1-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperidin-3-yl]methyl]urea is O=C(NCC1CCCN(C(=O)c2cncn2-c2ccc(F)cc2)C1)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[[1-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperidin-3-yl]methyl]urea?
The InChIKey is NMMCTJPGPKJGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O2/c24-17-6-8-20(9-7-17)30-15-26-13-21(30)22(31)29-10-2-3-16(14-29)12-27-23(32)28-19-5-1-4-18(25)11-19/h1,4-9,11,13,15-16H,2-3,10,12,14H2,(H2,27,28,32).
What are the key properties of 1-(3-fluorophenyl)-3-[[1-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperidin-3-yl]methyl]urea?
1-(3-fluorophenyl)-3-[[1-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperidin-3-yl]methyl]urea has a molecular weight of 439.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[[1-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperidin-3-yl]methyl]urea is sourced from PubChem (CID 56504183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).