1-(1-acetylpiperidin-4-yl)-3-(8-hydroxyoctyl)urea

C16H31N3O3 — CID 25072675

IUPAC1-(1-acetylpiperidin-4-yl)-3-(8-hydroxyoctyl)urea
SMILESCC(=O)N1CCC(NC(=O)NCCCCCCCCO)CC1
InChIInChI=1S/C16H31N3O3/c1-14(21)19-11-8-15(9-12-19)18-16(22)17-10-6-4-2-3-5-7-13-20/h15,20H,2-13H2,1H3,(H2,17,18,22)
InChIKeyQWZKAGVZJHMPOA-UHFFFAOYSA-N
MW313.44 g/mol
LogP1.63
Rot. Bonds9

About 1-(1-acetylpiperidin-4-yl)-3-(8-hydroxyoctyl)urea

1-(1-acetylpiperidin-4-yl)-3-(8-hydroxyoctyl)urea (PubChem CID 25072675) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(8-hydroxyoctyl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(8-hydroxyoctyl)urea
PubChem CID25072675
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(8-hydroxyoctyl)urea
SMILESCC(=O)N1CCC(NC(=O)NCCCCCCCCO)CC1
InChIInChI=1S/C16H31N3O3/c1-14(21)19-11-8-15(9-12-19)18-16(22)17-10-6-4-2-3-5-7-13-20/h15,20H,2-13H2,1H3,(H2,17,18,22)
InChIKeyQWZKAGVZJHMPOA-UHFFFAOYSA-N
XLogP1.63
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 51.63
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

12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid
CID 148925401
1-(1-acetylpiperidin-4-yl)-3-[3-(4-hydroxyphenyl)propyl]urea
CID 69241812
1-cyclobutyl-3-(3-hydroxypropyl)urea
CID 115642270
1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea
CID 117234476
1-hexyl-3-[4-(octylcarbamoylamino)cyclohexyl]urea
CID 10200800
1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 43392702
1-(1-acetylpiperidin-4-yl)-3-(oxan-4-ylmethyl)urea
CID 25072677
1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea
CID 110911531
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
1-[4-(hexylamino)piperidin-1-yl]ethanone
CID 43222793
4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 61198226
1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea
CID 110749270

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(8-hydroxyoctyl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(8-hydroxyoctyl)urea (CID 25072675) is 1-(1-acetylpiperidin-4-yl)-3-(8-hydroxyoctyl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(8-hydroxyoctyl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(8-hydroxyoctyl)urea is CC(=O)N1CCC(NC(=O)NCCCCCCCCO)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(8-hydroxyoctyl)urea?
The InChIKey is QWZKAGVZJHMPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-14(21)19-11-8-15(9-12-19)18-16(22)17-10-6-4-2-3-5-7-13-20/h15,20H,2-13H2,1H3,(H2,17,18,22).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(8-hydroxyoctyl)urea?
1-(1-acetylpiperidin-4-yl)-3-(8-hydroxyoctyl)urea has a molecular weight of 313.44 g/mol, XLogP of 1.63, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(8-hydroxyoctyl)urea is sourced from PubChem (CID 25072675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).