[1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]urea

C15H21ClN4O2 — CID 112764706

IUPAC[1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]urea
SMILESCC(NC(N)=O)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN4O2/c1-11(18-15(17)22)14(21)20-8-6-19(7-9-20)10-12-2-4-13(16)5-3-12/h2-5,11H,6-10H2,1H3,(H3,17,18,22)
InChIKeyDHFVIQJKKORDAR-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.04
Rot. Bonds4

About [1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]urea

[1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]urea (PubChem CID 112764706) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is [1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]urea.

Molecular Properties

Compound Name[1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]urea
PubChem CID112764706
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name[1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]urea
SMILESCC(NC(N)=O)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN4O2/c1-11(18-15(17)22)14(21)20-8-6-19(7-9-20)10-12-2-4-13(16)5-3-12/h2-5,11H,6-10H2,1H3,(H3,17,18,22)
InChIKeyDHFVIQJKKORDAR-UHFFFAOYSA-N
XLogP1.04
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]urea with MolForge

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Related Compounds

[3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]butan-2-yl]urea
CID 51177681
(2S)-1-(4-benzylpiperazin-1-yl)-2-(4-chloroanilino)propan-1-one
CID 7928563
2-amino-1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]propan-1-one;dihydrochloride
CID 119838966
N-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113104308
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride
CID 119838984
N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide
CID 110285473
4-chloro-N-[1-[4-(2-methylpropyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 112765552
methyl N-[(2S)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 96574812
2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 94667978
[(2S,3S)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 9183309
N-[(2S)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 31279747
[1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 47102273

Frequently Asked Questions

What is the IUPAC name of [1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]urea?
The IUPAC name of [1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]urea (CID 112764706) is [1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]urea.
What is the SMILES notation for [1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]urea?
The canonical SMILES for [1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]urea is CC(NC(N)=O)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]urea?
The InChIKey is DHFVIQJKKORDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O2/c1-11(18-15(17)22)14(21)20-8-6-19(7-9-20)10-12-2-4-13(16)5-3-12/h2-5,11H,6-10H2,1H3,(H3,17,18,22).
What are the key properties of [1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]urea?
[1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]urea has a molecular weight of 324.81 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]urea is sourced from PubChem (CID 112764706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).