1-(2-oxoethyl)-3-(piperidin-4-ylmethyl)urea

C9H17N3O2 — CID 117234637

IUPAC1-(2-oxoethyl)-3-(piperidin-4-ylmethyl)urea
SMILESO=CCNC(=O)NCC1CCNCC1
InChIInChI=1S/C9H17N3O2/c13-6-5-11-9(14)12-7-8-1-3-10-4-2-8/h6,8,10H,1-5,7H2,(H2,11,12,14)
InChIKeyJKWJHFRKRYNSPJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.52
Rot. Bonds4

About 1-(2-oxoethyl)-3-(piperidin-4-ylmethyl)urea

1-(2-oxoethyl)-3-(piperidin-4-ylmethyl)urea (PubChem CID 117234637) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(2-oxoethyl)-3-(piperidin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-oxoethyl)-3-(piperidin-4-ylmethyl)urea
PubChem CID117234637
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name1-(2-oxoethyl)-3-(piperidin-4-ylmethyl)urea
SMILESO=CCNC(=O)NCC1CCNCC1
InChIInChI=1S/C9H17N3O2/c13-6-5-11-9(14)12-7-8-1-3-10-4-2-8/h6,8,10H,1-5,7H2,(H2,11,12,14)
InChIKeyJKWJHFRKRYNSPJ-UHFFFAOYSA-N
XLogP-0.52
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(piperidin-4-ylmethylcarbamoylamino)acetic acid
CID 117234705
1-[(1-methylpiperidin-4-yl)methyl]-3-(2-oxoethyl)urea
CID 117234638
1-tert-butyl-3-(piperidin-4-ylmethyl)urea
CID 28786559
methane;N-(piperidin-4-ylmethyl)acetamide
CID 161365348
2-cycloheptyl-N-(piperidin-4-ylmethyl)acetamide
CID 115736681
N-(chloromethyl)-1-piperidin-4-ylmethanamine
CID 134365297
2-(piperidin-4-ylmethylamino)acetic acid
CID 67168932
1-methyl-N-(piperidin-4-ylmethyl)cyclobutane-1-carboxamide
CID 166176335
2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide
CID 76923281
1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea
CID 59006471
2-methoxy-N-(piperidin-4-ylmethyl)acetamide
CID 18070130
2-oxo-2-(piperidin-4-ylmethylamino)ethanesulfinic acid
CID 84685887

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxoethyl)-3-(piperidin-4-ylmethyl)urea?
The IUPAC name of 1-(2-oxoethyl)-3-(piperidin-4-ylmethyl)urea (CID 117234637) is 1-(2-oxoethyl)-3-(piperidin-4-ylmethyl)urea.
What is the SMILES notation for 1-(2-oxoethyl)-3-(piperidin-4-ylmethyl)urea?
The canonical SMILES for 1-(2-oxoethyl)-3-(piperidin-4-ylmethyl)urea is O=CCNC(=O)NCC1CCNCC1.
What is the InChIKey of 1-(2-oxoethyl)-3-(piperidin-4-ylmethyl)urea?
The InChIKey is JKWJHFRKRYNSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c13-6-5-11-9(14)12-7-8-1-3-10-4-2-8/h6,8,10H,1-5,7H2,(H2,11,12,14).
What are the key properties of 1-(2-oxoethyl)-3-(piperidin-4-ylmethyl)urea?
1-(2-oxoethyl)-3-(piperidin-4-ylmethyl)urea has a molecular weight of 199.25 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxoethyl)-3-(piperidin-4-ylmethyl)urea is sourced from PubChem (CID 117234637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).