1-(1-acetylpiperidin-4-yl)-3-[[1-[(Z)-but-2-enyl]cyclobutyl]methyl]urea

C17H29N3O2 — CID 70991515

IUPAC1-(1-acetylpiperidin-4-yl)-3-[[1-[(Z)-but-2-enyl]cyclobutyl]methyl]urea
SMILESC/C=C\CC1(CNC(=O)NC2CCN(C(C)=O)CC2)CCC1
InChIInChI=1S/C17H29N3O2/c1-3-4-8-17(9-5-10-17)13-18-16(22)19-15-6-11-20(12-7-15)14(2)21/h3-4,15H,5-13H2,1-2H3,(H2,18,19,22)/b4-3-
InChIKeyRGYHWSFXDHSCQH-ARJAWSKDSA-N
MW307.44 g/mol
LogP2.43
Rot. Bonds5

About 1-(1-acetylpiperidin-4-yl)-3-[[1-[(Z)-but-2-enyl]cyclobutyl]methyl]urea

1-(1-acetylpiperidin-4-yl)-3-[[1-[(Z)-but-2-enyl]cyclobutyl]methyl]urea (PubChem CID 70991515) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-[[1-[(Z)-but-2-enyl]cyclobutyl]methyl]urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-[[1-[(Z)-but-2-enyl]cyclobutyl]methyl]urea
PubChem CID70991515
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-[[1-[(Z)-but-2-enyl]cyclobutyl]methyl]urea
SMILESC/C=C\CC1(CNC(=O)NC2CCN(C(C)=O)CC2)CCC1
InChIInChI=1S/C17H29N3O2/c1-3-4-8-17(9-5-10-17)13-18-16(22)19-15-6-11-20(12-7-15)14(2)21/h3-4,15H,5-13H2,1-2H3,(H2,18,19,22)/b4-3-
InChIKeyRGYHWSFXDHSCQH-ARJAWSKDSA-N
XLogP2.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[[1-[(Z)-but-2-enyl]cyclobutyl]methyl]urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[[1-[(Z)-but-2-enyl]cyclobutyl]methyl]urea (CID 70991515) is 1-(1-acetylpiperidin-4-yl)-3-[[1-[(Z)-but-2-enyl]cyclobutyl]methyl]urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-[[1-[(Z)-but-2-enyl]cyclobutyl]methyl]urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-[[1-[(Z)-but-2-enyl]cyclobutyl]methyl]urea is C/C=C\CC1(CNC(=O)NC2CCN(C(C)=O)CC2)CCC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-[[1-[(Z)-but-2-enyl]cyclobutyl]methyl]urea?
The InChIKey is RGYHWSFXDHSCQH-ARJAWSKDSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-3-4-8-17(9-5-10-17)13-18-16(22)19-15-6-11-20(12-7-15)14(2)21/h3-4,15H,5-13H2,1-2H3,(H2,18,19,22)/b4-3-.
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-[[1-[(Z)-but-2-enyl]cyclobutyl]methyl]urea?
1-(1-acetylpiperidin-4-yl)-3-[[1-[(Z)-but-2-enyl]cyclobutyl]methyl]urea has a molecular weight of 307.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-[[1-[(Z)-but-2-enyl]cyclobutyl]methyl]urea is sourced from PubChem (CID 70991515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).