[1-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]urea

C14H19ClN4O3 — CID 136518884

IUPAC[1-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]urea
SMILESNC(=O)NC(CO)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H19ClN4O3/c15-10-2-1-3-11(8-10)18-4-6-19(7-5-18)13(21)12(9-20)17-14(16)22/h1-3,8,12,20H,4-7,9H2,(H3,16,17,22)
InChIKeyQJWJVDPCNIEOFS-UHFFFAOYSA-N
MW326.78 g/mol
LogP0.02
Rot. Bonds4

About [1-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]urea

[1-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]urea (PubChem CID 136518884) has the molecular formula C14H19ClN4O3 and a molecular weight of 326.78 g/mol. Its IUPAC name is [1-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]urea.

Molecular Properties

Compound Name[1-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]urea
PubChem CID136518884
Molecular FormulaC14H19ClN4O3
Molecular Weight326.78 g/mol
Exact Mass326.11
IUPAC Name[1-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]urea
SMILESNC(=O)NC(CO)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H19ClN4O3/c15-10-2-1-3-11(8-10)18-4-6-19(7-5-18)13(21)12(9-20)17-14(16)22/h1-3,8,12,20H,4-7,9H2,(H3,16,17,22)
InChIKeyQJWJVDPCNIEOFS-UHFFFAOYSA-N
XLogP0.02
TPSA98.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 879682
N-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46559911
[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea
CID 9208338
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107020823
1,3-bis[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylpropane-1,3-dione
CID 3394778
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
2-(aminomethyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one
CID 65225836
N-[(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 9146696
[(2S)-4-methylsulfanyl-1-oxo-1-(4-phenylpiperazin-1-yl)butan-2-yl]urea
CID 9339131
(2R)-2-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one
CID 104906806
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480

Frequently Asked Questions

What is the IUPAC name of [1-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]urea?
The IUPAC name of [1-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]urea (CID 136518884) is [1-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]urea.
What is the SMILES notation for [1-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]urea?
The canonical SMILES for [1-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]urea is NC(=O)NC(CO)C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [1-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]urea?
The InChIKey is QJWJVDPCNIEOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O3/c15-10-2-1-3-11(8-10)18-4-6-19(7-5-18)13(21)12(9-20)17-14(16)22/h1-3,8,12,20H,4-7,9H2,(H3,16,17,22).
What are the key properties of [1-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]urea?
[1-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]urea has a molecular weight of 326.78 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]urea is sourced from PubChem (CID 136518884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).