1-[4-(3-aminopiperidin-1-yl)-4-oxobutyl]-3-cyclohexylurea;hydrochloride

C16H31ClN4O2 — CID 119378516

IUPAC1-[4-(3-aminopiperidin-1-yl)-4-oxobutyl]-3-cyclohexylurea;hydrochloride
SMILESCl.NC1CCCN(C(=O)CCCNC(=O)NC2CCCCC2)C1
InChIInChI=1S/C16H30N4O2.ClH/c17-13-6-5-11-20(12-13)15(21)9-4-10-18-16(22)19-14-7-2-1-3-8-14;/h13-14H,1-12,17H2,(H2,18,19,22);1H
InChIKeyNBACNZCBBBBIMM-UHFFFAOYSA-N
MW346.90 g/mol
LogP1.77
Rot. Bonds5

About 1-[4-(3-aminopiperidin-1-yl)-4-oxobutyl]-3-cyclohexylurea;hydrochloride

1-[4-(3-aminopiperidin-1-yl)-4-oxobutyl]-3-cyclohexylurea;hydrochloride (PubChem CID 119378516) has the molecular formula C16H31ClN4O2 and a molecular weight of 346.90 g/mol. Its IUPAC name is 1-[4-(3-aminopiperidin-1-yl)-4-oxobutyl]-3-cyclohexylurea;hydrochloride.

Molecular Properties

Compound Name1-[4-(3-aminopiperidin-1-yl)-4-oxobutyl]-3-cyclohexylurea;hydrochloride
PubChem CID119378516
Molecular FormulaC16H31ClN4O2
Molecular Weight346.90 g/mol
Exact Mass346.21
IUPAC Name1-[4-(3-aminopiperidin-1-yl)-4-oxobutyl]-3-cyclohexylurea;hydrochloride
SMILESCl.NC1CCCN(C(=O)CCCNC(=O)NC2CCCCC2)C1
InChIInChI=1S/C16H30N4O2.ClH/c17-13-6-5-11-20(12-13)15(21)9-4-10-18-16(22)19-14-7-2-1-3-8-14;/h13-14H,1-12,17H2,(H2,18,19,22);1H
InChIKeyNBACNZCBBBBIMM-UHFFFAOYSA-N
XLogP1.77
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 51.77
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

1-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-3-cyclohexylurea;hydrochloride
CID 119410465
1-[4-(cyclohexylcarbamoylamino)butanoyl]pyrrolidine-3-carboxylic acid
CID 119354504
1-cyclohexyl-3-[4-(1,4-diazepan-1-yl)-4-oxobutyl]urea
CID 119415459
1-[4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-4-oxobutyl]-3-cyclohexylurea;hydrochloride
CID 120656749
1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea
CID 119412871
1-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-3-cyclohexylurea
CID 60588118
3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 18157282
1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-oxobutyl]-3-cyclohexylurea
CID 120810145
1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602
1-cyclohexyl-3-[4-(3-imidazol-1-ylazetidin-1-yl)-4-oxobutyl]urea
CID 166206726
1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one
CID 115277271
1-[6-[2-(aminomethyl)pyrrolidin-1-yl]-6-oxohexyl]-3-cyclohexylurea
CID 119632716

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopiperidin-1-yl)-4-oxobutyl]-3-cyclohexylurea;hydrochloride?
The IUPAC name of 1-[4-(3-aminopiperidin-1-yl)-4-oxobutyl]-3-cyclohexylurea;hydrochloride (CID 119378516) is 1-[4-(3-aminopiperidin-1-yl)-4-oxobutyl]-3-cyclohexylurea;hydrochloride.
What is the SMILES notation for 1-[4-(3-aminopiperidin-1-yl)-4-oxobutyl]-3-cyclohexylurea;hydrochloride?
The canonical SMILES for 1-[4-(3-aminopiperidin-1-yl)-4-oxobutyl]-3-cyclohexylurea;hydrochloride is Cl.NC1CCCN(C(=O)CCCNC(=O)NC2CCCCC2)C1.
What is the InChIKey of 1-[4-(3-aminopiperidin-1-yl)-4-oxobutyl]-3-cyclohexylurea;hydrochloride?
The InChIKey is NBACNZCBBBBIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2.ClH/c17-13-6-5-11-20(12-13)15(21)9-4-10-18-16(22)19-14-7-2-1-3-8-14;/h13-14H,1-12,17H2,(H2,18,19,22);1H.
What are the key properties of 1-[4-(3-aminopiperidin-1-yl)-4-oxobutyl]-3-cyclohexylurea;hydrochloride?
1-[4-(3-aminopiperidin-1-yl)-4-oxobutyl]-3-cyclohexylurea;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopiperidin-1-yl)-4-oxobutyl]-3-cyclohexylurea;hydrochloride is sourced from PubChem (CID 119378516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).