[5-[2-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]urea;hydrochloride

C16H24Cl2N4O2 — CID 120803550

IUPAC[5-[2-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]urea;hydrochloride
SMILESCl.NC(=O)NCCCCC(=O)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN4O2.ClH/c17-13-5-3-4-12(10-13)14-11-19-8-9-21(14)15(22)6-1-2-7-20-16(18)23;/h3-5,10,14,19H,1-2,6-9,11H2,(H3,18,20,23);1H
InChIKeyJNSBONXUZSBVHB-UHFFFAOYSA-N
MW375.30 g/mol
LogP2.07
Rot. Bonds6

About [5-[2-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]urea;hydrochloride

[5-[2-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]urea;hydrochloride (PubChem CID 120803550) has the molecular formula C16H24Cl2N4O2 and a molecular weight of 375.30 g/mol. Its IUPAC name is [5-[2-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]urea;hydrochloride.

Molecular Properties

Compound Name[5-[2-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]urea;hydrochloride
PubChem CID120803550
Molecular FormulaC16H24Cl2N4O2
Molecular Weight375.30 g/mol
Exact Mass374.13
IUPAC Name[5-[2-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]urea;hydrochloride
SMILESCl.NC(=O)NCCCCC(=O)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN4O2.ClH/c17-13-5-3-4-12(10-13)14-11-19-8-9-21(14)15(22)6-1-2-7-20-16(18)23;/h3-5,10,14,19H,1-2,6-9,11H2,(H3,18,20,23);1H
InChIKeyJNSBONXUZSBVHB-UHFFFAOYSA-N
XLogP2.07
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride
CID 120801869
4-[2-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride
CID 120802257
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride
CID 120802347
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381
3-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
CID 120803238
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 120802984
2-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione;hydrochloride
CID 120802401
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120803593
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 120801978
3-(1-acetylpiperidin-4-yl)-1-[2-(3-chlorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120803200
3-[4-[2-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-5,5-dimethylimidazolidine-2,4-dione
CID 120801960

Frequently Asked Questions

What is the IUPAC name of [5-[2-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]urea;hydrochloride?
The IUPAC name of [5-[2-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]urea;hydrochloride (CID 120803550) is [5-[2-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]urea;hydrochloride.
What is the SMILES notation for [5-[2-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]urea;hydrochloride?
The canonical SMILES for [5-[2-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]urea;hydrochloride is Cl.NC(=O)NCCCCC(=O)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of [5-[2-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]urea;hydrochloride?
The InChIKey is JNSBONXUZSBVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O2.ClH/c17-13-5-3-4-12(10-13)14-11-19-8-9-21(14)15(22)6-1-2-7-20-16(18)23;/h3-5,10,14,19H,1-2,6-9,11H2,(H3,18,20,23);1H.
What are the key properties of [5-[2-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]urea;hydrochloride?
[5-[2-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]urea;hydrochloride has a molecular weight of 375.30 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]urea;hydrochloride is sourced from PubChem (CID 120803550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).