1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea

C10H19N3O — CID 110865945

IUPAC1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)NC1CCN(C)CC1
InChIInChI=1S/C10H19N3O/c1-3-6-11-10(14)12-9-4-7-13(2)8-5-9/h3,9H,1,4-8H2,2H3,(H2,11,12,14)
InChIKeyWPORILNRVUECKG-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.57
Rot. Bonds3

About 1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea

1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea (PubChem CID 110865945) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea
PubChem CID110865945
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)NC1CCN(C)CC1
InChIInChI=1S/C10H19N3O/c1-3-6-11-10(14)12-9-4-7-13(2)8-5-9/h3,9H,1,4-8H2,2H3,(H2,11,12,14)
InChIKeyWPORILNRVUECKG-UHFFFAOYSA-N
XLogP0.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxycyclohexyl)-3-prop-2-enylurea
CID 130701517
1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea
CID 117234476
4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 61198226
(2S)-2-hydroxy-3-[(1-methylpiperidin-4-yl)carbamoylamino]propanoic acid
CID 107838389
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea
CID 130752274
N-cyclopropyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038566
2-(1-methylpyrrolidin-3-yl)-N-prop-2-enylacetamide
CID 110848144
1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 55559318
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234533
1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea
CID 126777788
1-[(3,5-dichlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 11645361

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea (CID 110865945) is 1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea is C=CCNC(=O)NC1CCN(C)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea?
The InChIKey is WPORILNRVUECKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-6-11-10(14)12-9-4-7-13(2)8-5-9/h3,9H,1,4-8H2,2H3,(H2,11,12,14).
What are the key properties of 1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea?
1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea has a molecular weight of 197.28 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea is sourced from PubChem (CID 110865945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).