[3-(4-acetylpiperazin-1-yl)-1-(2-chlorophenyl)-3-oxopropyl]urea

C16H21ClN4O3 — CID 42997460

IUPAC[3-(4-acetylpiperazin-1-yl)-1-(2-chlorophenyl)-3-oxopropyl]urea
SMILESCC(=O)N1CCN(C(=O)CC(NC(N)=O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H21ClN4O3/c1-11(22)20-6-8-21(9-7-20)15(23)10-14(19-16(18)24)12-4-2-3-5-13(12)17/h2-5,14H,6-10H2,1H3,(H3,18,19,24)
InChIKeyVKTISCUGLAKPMM-UHFFFAOYSA-N
MW352.82 g/mol
LogP1.13
Rot. Bonds4

About [3-(4-acetylpiperazin-1-yl)-1-(2-chlorophenyl)-3-oxopropyl]urea

[3-(4-acetylpiperazin-1-yl)-1-(2-chlorophenyl)-3-oxopropyl]urea (PubChem CID 42997460) has the molecular formula C16H21ClN4O3 and a molecular weight of 352.82 g/mol. Its IUPAC name is [3-(4-acetylpiperazin-1-yl)-1-(2-chlorophenyl)-3-oxopropyl]urea.

Molecular Properties

Compound Name[3-(4-acetylpiperazin-1-yl)-1-(2-chlorophenyl)-3-oxopropyl]urea
PubChem CID42997460
Molecular FormulaC16H21ClN4O3
Molecular Weight352.82 g/mol
Exact Mass352.13
IUPAC Name[3-(4-acetylpiperazin-1-yl)-1-(2-chlorophenyl)-3-oxopropyl]urea
SMILESCC(=O)N1CCN(C(=O)CC(NC(N)=O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H21ClN4O3/c1-11(22)20-6-8-21(9-7-20)15(23)10-14(19-16(18)24)12-4-2-3-5-13(12)17/h2-5,14H,6-10H2,1H3,(H3,18,19,24)
InChIKeyVKTISCUGLAKPMM-UHFFFAOYSA-N
XLogP1.13
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(4-acetylpiperazin-1-yl)-1-(2-chlorophenyl)-3-oxopropyl]urea with MolForge

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Related Compounds

[(1R)-1-(2-chlorophenyl)-3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]urea
CID 98684646
[(1S)-1-(2-fluorophenyl)-3-oxo-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propyl]urea
CID 39322980
(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32604442
[2-oxo-2-(propan-2-ylamino)ethyl] (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757798
3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 44890909
(3S)-1-[(3R)-3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 125134807
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757862
(3S)-1-[(3S)-3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 125134805
[3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)-3-oxopropyl]urea
CID 42953247
[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea
CID 119621791
[2-oxo-2-(pentan-3-ylamino)ethyl] (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757813
1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 56686977

Frequently Asked Questions

What is the IUPAC name of [3-(4-acetylpiperazin-1-yl)-1-(2-chlorophenyl)-3-oxopropyl]urea?
The IUPAC name of [3-(4-acetylpiperazin-1-yl)-1-(2-chlorophenyl)-3-oxopropyl]urea (CID 42997460) is [3-(4-acetylpiperazin-1-yl)-1-(2-chlorophenyl)-3-oxopropyl]urea.
What is the SMILES notation for [3-(4-acetylpiperazin-1-yl)-1-(2-chlorophenyl)-3-oxopropyl]urea?
The canonical SMILES for [3-(4-acetylpiperazin-1-yl)-1-(2-chlorophenyl)-3-oxopropyl]urea is CC(=O)N1CCN(C(=O)CC(NC(N)=O)c2ccccc2Cl)CC1.
What is the InChIKey of [3-(4-acetylpiperazin-1-yl)-1-(2-chlorophenyl)-3-oxopropyl]urea?
The InChIKey is VKTISCUGLAKPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O3/c1-11(22)20-6-8-21(9-7-20)15(23)10-14(19-16(18)24)12-4-2-3-5-13(12)17/h2-5,14H,6-10H2,1H3,(H3,18,19,24).
What are the key properties of [3-(4-acetylpiperazin-1-yl)-1-(2-chlorophenyl)-3-oxopropyl]urea?
[3-(4-acetylpiperazin-1-yl)-1-(2-chlorophenyl)-3-oxopropyl]urea has a molecular weight of 352.82 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-acetylpiperazin-1-yl)-1-(2-chlorophenyl)-3-oxopropyl]urea is sourced from PubChem (CID 42997460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).