1-(1-butylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea

C16H31N3O2 — CID 110933397

IUPAC1-(1-butylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea
SMILESCCCCN1CCC(NC(=O)NC2CCCCC2O)CC1
InChIInChI=1S/C16H31N3O2/c1-2-3-10-19-11-8-13(9-12-19)17-16(21)18-14-6-4-5-7-15(14)20/h13-15,20H,2-12H2,1H3,(H2,17,18,21)
InChIKeyXPUGZWCPKITHBD-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.85
Rot. Bonds5

About 1-(1-butylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea

1-(1-butylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea (PubChem CID 110933397) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-(1-butylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-(1-butylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea
PubChem CID110933397
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-(1-butylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea
SMILESCCCCN1CCC(NC(=O)NC2CCCCC2O)CC1
InChIInChI=1S/C16H31N3O2/c1-2-3-10-19-11-8-13(9-12-19)17-16(21)18-14-6-4-5-7-15(14)20/h13-15,20H,2-12H2,1H3,(H2,17,18,21)
InChIKeyXPUGZWCPKITHBD-UHFFFAOYSA-N
XLogP1.85
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-butylpiperidin-4-yl)acetamide
CID 21136025
1-(2-hydroxycyclohexyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 110933391
1-(1-cyclopropylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea
CID 110933219
1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea
CID 110911531
1-(2-hydroxycyclohexyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 110933278
1-(1-cyclohexylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea
CID 111619277
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea
CID 110933322
1-(1-butylpiperidin-4-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111630831
N-(1-butylpiperidin-4-yl)-2,2-difluoroacetamide
CID 103515070
1-cyclohexyl-3-[1-(5-hydroxypentyl)piperidin-4-yl]urea
CID 111496272
N-(1-butylpiperidin-4-yl)azepane-2-carboxamide
CID 64561841
2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate
CID 79345508

Frequently Asked Questions

What is the IUPAC name of 1-(1-butylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea?
The IUPAC name of 1-(1-butylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea (CID 110933397) is 1-(1-butylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-(1-butylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea?
The canonical SMILES for 1-(1-butylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea is CCCCN1CCC(NC(=O)NC2CCCCC2O)CC1.
What is the InChIKey of 1-(1-butylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea?
The InChIKey is XPUGZWCPKITHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-2-3-10-19-11-8-13(9-12-19)17-16(21)18-14-6-4-5-7-15(14)20/h13-15,20H,2-12H2,1H3,(H2,17,18,21).
What are the key properties of 1-(1-butylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea?
1-(1-butylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea has a molecular weight of 297.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea is sourced from PubChem (CID 110933397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).