1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea

C16H30N4O2 — CID 119304295

IUPAC1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea
SMILESNCCCC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C16H30N4O2/c17-10-4-7-15(21)20-11-8-14(9-12-20)19-16(22)18-13-5-2-1-3-6-13/h13-14H,1-12,17H2,(H2,18,19,22)
InChIKeyCPFVACBDAOFWIT-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.35
Rot. Bonds5

About 1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea

1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea (PubChem CID 119304295) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea
PubChem CID119304295
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea
SMILESNCCCC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C16H30N4O2/c17-10-4-7-15(21)20-11-8-14(9-12-20)19-16(22)18-13-5-2-1-3-6-13/h13-14H,1-12,17H2,(H2,18,19,22)
InChIKeyCPFVACBDAOFWIT-UHFFFAOYSA-N
XLogP1.35
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea
CID 110819357
N-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide
CID 54872286
1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 119295427
N-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide
CID 60947434
1-cyclohexyl-3-[1-(2-cyclohexyloxyacetyl)piperidin-4-yl]urea
CID 71887066
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride
CID 119664203
1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride
CID 120981215
1-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-3-cyclohexylurea;hydrochloride
CID 119410465
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119305242
1-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 119304292
1-cyclohexyl-3-[4-(1,4-diazepan-1-yl)-4-oxobutyl]urea
CID 119415459
1-[4-(cyclohexylcarbamoylamino)butanoyl]pyrrolidine-3-carboxylic acid
CID 119354504

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea?
The IUPAC name of 1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea (CID 119304295) is 1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea.
What is the SMILES notation for 1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea?
The canonical SMILES for 1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea is NCCCC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea?
The InChIKey is CPFVACBDAOFWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c17-10-4-7-15(21)20-11-8-14(9-12-20)19-16(22)18-13-5-2-1-3-6-13/h13-14H,1-12,17H2,(H2,18,19,22).
What are the key properties of 1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea?
1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea has a molecular weight of 310.44 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea is sourced from PubChem (CID 119304295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).