1-[3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]-3-cyclopropylurea

C23H25N5O2 — CID 55884104

IUPAC1-[3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]-3-cyclopropylurea
SMILESN#Cc1ccc(CN2CCN(C(=O)c3cccc(NC(=O)NC4CC4)c3)CC2)cc1
InChIInChI=1S/C23H25N5O2/c24-15-17-4-6-18(7-5-17)16-27-10-12-28(13-11-27)22(29)19-2-1-3-21(14-19)26-23(30)25-20-8-9-20/h1-7,14,20H,8-13,16H2,(H2,25,26,30)
InChIKeyUMFWFQZCSSRSGH-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.80
Rot. Bonds5

About 1-[3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]-3-cyclopropylurea

1-[3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]-3-cyclopropylurea (PubChem CID 55884104) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-[3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]-3-cyclopropylurea
PubChem CID55884104
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name1-[3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]-3-cyclopropylurea
SMILESN#Cc1ccc(CN2CCN(C(=O)c3cccc(NC(=O)NC4CC4)c3)CC2)cc1
InChIInChI=1S/C23H25N5O2/c24-15-17-4-6-18(7-5-17)16-27-10-12-28(13-11-27)22(29)19-2-1-3-21(14-19)26-23(30)25-20-8-9-20/h1-7,14,20H,8-13,16H2,(H2,25,26,30)
InChIKeyUMFWFQZCSSRSGH-UHFFFAOYSA-N
XLogP2.80
TPSA88.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]-3-cyclopropylurea with MolForge

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Related Compounds

3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 55911957
4-[[4-(4-chlorobenzoyl)piperazin-1-yl]methyl]benzonitrile
CID 15284673
1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 51082716
N-[3-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 37079087
1-[3-(3-benzylazetidine-1-carbonyl)phenyl]-3-cyclopropylurea
CID 136521438
4-[[4-[4-(cyclopropylamino)-3-nitrobenzoyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 41388340
1-cyclopropyl-3-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]urea;hydrochloride
CID 119639329
benzyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]carbamate
CID 24988181
3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide
CID 16567527
N-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107615
1-[3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-3-cyclopropylurea;hydrochloride
CID 120657031
4-[[4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 27755711

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]-3-cyclopropylurea?
The IUPAC name of 1-[3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]-3-cyclopropylurea (CID 55884104) is 1-[3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]-3-cyclopropylurea?
The canonical SMILES for 1-[3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]-3-cyclopropylurea is N#Cc1ccc(CN2CCN(C(=O)c3cccc(NC(=O)NC4CC4)c3)CC2)cc1.
What is the InChIKey of 1-[3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]-3-cyclopropylurea?
The InChIKey is UMFWFQZCSSRSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c24-15-17-4-6-18(7-5-17)16-27-10-12-28(13-11-27)22(29)19-2-1-3-21(14-19)26-23(30)25-20-8-9-20/h1-7,14,20H,8-13,16H2,(H2,25,26,30).
What are the key properties of 1-[3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]-3-cyclopropylurea?
1-[3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]-3-cyclopropylurea has a molecular weight of 403.49 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]-3-cyclopropylurea is sourced from PubChem (CID 55884104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).