1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride

C17H33ClN4O3 — CID 119664203

IUPAC1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)CNC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H32N4O3.ClH/c18-9-4-12-24-15-7-10-21(11-8-15)16(22)13-19-17(23)20-14-5-2-1-3-6-14;/h14-15H,1-13,18H2,(H2,19,20,23);1H
InChIKeyKQNCINRPKALPCL-UHFFFAOYSA-N
MW376.93 g/mol
LogP1.40
Rot. Bonds7

About 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride

1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride (PubChem CID 119664203) has the molecular formula C17H33ClN4O3 and a molecular weight of 376.93 g/mol. Its IUPAC name is 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride
PubChem CID119664203
Molecular FormulaC17H33ClN4O3
Molecular Weight376.93 g/mol
Exact Mass376.22
IUPAC Name1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)CNC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H32N4O3.ClH/c18-9-4-12-24-15-7-10-21(11-8-15)16(22)13-19-17(23)20-14-5-2-1-3-6-14;/h14-15H,1-13,18H2,(H2,19,20,23);1H
InChIKeyKQNCINRPKALPCL-UHFFFAOYSA-N
XLogP1.40
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide
CID 79735173
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one
CID 119664240
1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea
CID 84515833
3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119661869
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-cyclopentylacetamide
CID 79737212
1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea
CID 119412871
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea;hydrochloride
CID 119664508
1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea
CID 47277900
1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea
CID 119304295
[4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79735842
1-[2-(cyclohexylcarbamoylamino)acetyl]pyrrolidine-3-carboxylic acid
CID 119354365
1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea
CID 112991840

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride?
The IUPAC name of 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride (CID 119664203) is 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride.
What is the SMILES notation for 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride?
The canonical SMILES for 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride is Cl.NCCCOC1CCN(C(=O)CNC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride?
The InChIKey is KQNCINRPKALPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3.ClH/c18-9-4-12-24-15-7-10-21(11-8-15)16(22)13-19-17(23)20-14-5-2-1-3-6-14;/h14-15H,1-13,18H2,(H2,19,20,23);1H.
What are the key properties of 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride?
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride has a molecular weight of 376.93 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride is sourced from PubChem (CID 119664203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).