1-[(1-methylpiperidin-4-yl)methyl]-3-(2-oxoethyl)urea

C10H19N3O2 — CID 117234638

IUPAC1-[(1-methylpiperidin-4-yl)methyl]-3-(2-oxoethyl)urea
SMILESCN1CCC(CNC(=O)NCC=O)CC1
InChIInChI=1S/C10H19N3O2/c1-13-5-2-9(3-6-13)8-12-10(15)11-4-7-14/h7,9H,2-6,8H2,1H3,(H2,11,12,15)
InChIKeyDHCAQDHZASXENU-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.17
Rot. Bonds4

About 1-[(1-methylpiperidin-4-yl)methyl]-3-(2-oxoethyl)urea

1-[(1-methylpiperidin-4-yl)methyl]-3-(2-oxoethyl)urea (PubChem CID 117234638) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-4-yl)methyl]-3-(2-oxoethyl)urea.

Molecular Properties

Compound Name1-[(1-methylpiperidin-4-yl)methyl]-3-(2-oxoethyl)urea
PubChem CID117234638
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-[(1-methylpiperidin-4-yl)methyl]-3-(2-oxoethyl)urea
SMILESCN1CCC(CNC(=O)NCC=O)CC1
InChIInChI=1S/C10H19N3O2/c1-13-5-2-9(3-6-13)8-12-10(15)11-4-7-14/h7,9H,2-6,8H2,1H3,(H2,11,12,15)
InChIKeyDHCAQDHZASXENU-UHFFFAOYSA-N
XLogP-0.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethyl)-3-[(1-methylpiperidin-4-yl)methyl]urea
CID 117234697
1-(2-oxoethyl)-3-(piperidin-4-ylmethyl)urea
CID 117234637
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446682
2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119866901
2,3-dimethyl-4-[(1-methylpiperidin-4-yl)methylcarbamoylamino]-4-oxobut-2-enoic acid
CID 76992288
2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81155945
ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
CID 144702610
3-methyl-3-[(1-methylpiperidin-4-yl)methylcarbamoylamino]butanoic acid
CID 64701673
(E)-N-[(1-methylpiperidin-4-yl)methyl]but-2-en-1-amine
CID 107898886
1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 65465788
N-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide
CID 65419153

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-4-yl)methyl]-3-(2-oxoethyl)urea?
The IUPAC name of 1-[(1-methylpiperidin-4-yl)methyl]-3-(2-oxoethyl)urea (CID 117234638) is 1-[(1-methylpiperidin-4-yl)methyl]-3-(2-oxoethyl)urea.
What is the SMILES notation for 1-[(1-methylpiperidin-4-yl)methyl]-3-(2-oxoethyl)urea?
The canonical SMILES for 1-[(1-methylpiperidin-4-yl)methyl]-3-(2-oxoethyl)urea is CN1CCC(CNC(=O)NCC=O)CC1.
What is the InChIKey of 1-[(1-methylpiperidin-4-yl)methyl]-3-(2-oxoethyl)urea?
The InChIKey is DHCAQDHZASXENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-13-5-2-9(3-6-13)8-12-10(15)11-4-7-14/h7,9H,2-6,8H2,1H3,(H2,11,12,15).
What are the key properties of 1-[(1-methylpiperidin-4-yl)methyl]-3-(2-oxoethyl)urea?
1-[(1-methylpiperidin-4-yl)methyl]-3-(2-oxoethyl)urea has a molecular weight of 213.28 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-4-yl)methyl]-3-(2-oxoethyl)urea is sourced from PubChem (CID 117234638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).