[(1R)-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]urea

C22H25N5O2 — CID 31475605

IUPAC[(1R)-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]urea
SMILESN#Cc1ccc(CN2CCN(C(=O)C[C@@H](NC(N)=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N5O2/c23-15-17-6-8-18(9-7-17)16-26-10-12-27(13-11-26)21(28)14-20(25-22(24)29)19-4-2-1-3-5-19/h1-9,20H,10-14,16H2,(H3,24,25,29)/t20-/m1/s1
InChIKeyHAIOCAFSFBRZFS-HXUWFJFHSA-N
MW391.48 g/mol
LogP2.00
Rot. Bonds6

About [(1R)-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]urea

[(1R)-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]urea (PubChem CID 31475605) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [(1R)-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]urea.

Molecular Properties

Compound Name[(1R)-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]urea
PubChem CID31475605
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name[(1R)-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]urea
SMILESN#Cc1ccc(CN2CCN(C(=O)C[C@@H](NC(N)=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N5O2/c23-15-17-6-8-18(9-7-17)16-26-10-12-27(13-11-26)21(28)14-20(25-22(24)29)19-4-2-1-3-5-19/h1-9,20H,10-14,16H2,(H3,24,25,29)/t20-/m1/s1
InChIKeyHAIOCAFSFBRZFS-HXUWFJFHSA-N
XLogP2.00
TPSA102.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1R)-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]urea with MolForge

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Related Compounds

N-[(1R)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 31397372
4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]benzonitrile
CID 31946879
4-[(4-cyanophenyl)methyl]-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide
CID 46493889
[(1S)-1-(2-fluorophenyl)-3-oxo-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propyl]urea
CID 39322980
4-[[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 31118938
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55355595
N-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 27755996
4-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-carboxamide
CID 55457532
4-[[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]methyl]benzonitrile
CID 27755112
(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348715
(2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348711
2-chloro-N-[3-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 55720710

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]urea?
The IUPAC name of [(1R)-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]urea (CID 31475605) is [(1R)-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]urea.
What is the SMILES notation for [(1R)-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]urea?
The canonical SMILES for [(1R)-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]urea is N#Cc1ccc(CN2CCN(C(=O)C[C@@H](NC(N)=O)c3ccccc3)CC2)cc1.
What is the InChIKey of [(1R)-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]urea?
The InChIKey is HAIOCAFSFBRZFS-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25N5O2/c23-15-17-6-8-18(9-7-17)16-26-10-12-27(13-11-26)21(28)14-20(25-22(24)29)19-4-2-1-3-5-19/h1-9,20H,10-14,16H2,(H3,24,25,29)/t20-/m1/s1.
What are the key properties of [(1R)-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]urea?
[(1R)-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]urea has a molecular weight of 391.48 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]urea is sourced from PubChem (CID 31475605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).