1-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-prop-2-enylurea

C20H28N4O3 — CID 46038618

IUPAC1-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NC1CCN(c2ccccc2C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H28N4O3/c1-2-9-21-20(26)22-16-7-10-23(11-8-16)18-6-4-3-5-17(18)19(25)24-12-14-27-15-13-24/h2-6,16H,1,7-15H2,(H2,21,22,26)
InChIKeyZEUOKEGVRSKPNM-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.61
Rot. Bonds5

About 1-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-prop-2-enylurea

1-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-prop-2-enylurea (PubChem CID 46038618) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-prop-2-enylurea
PubChem CID46038618
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name1-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NC1CCN(c2ccccc2C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H28N4O3/c1-2-9-21-20(26)22-16-7-10-23(11-8-16)18-6-4-3-5-17(18)19(25)24-12-14-27-15-13-24/h2-6,16H,1,7-15H2,(H2,21,22,26)
InChIKeyZEUOKEGVRSKPNM-UHFFFAOYSA-N
XLogP1.61
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-prop-2-enylurea?
The IUPAC name of 1-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-prop-2-enylurea (CID 46038618) is 1-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-prop-2-enylurea?
The canonical SMILES for 1-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-prop-2-enylurea is C=CCNC(=O)NC1CCN(c2ccccc2C(=O)N2CCOCC2)CC1.
What is the InChIKey of 1-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-prop-2-enylurea?
The InChIKey is ZEUOKEGVRSKPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-2-9-21-20(26)22-16-7-10-23(11-8-16)18-6-4-3-5-17(18)19(25)24-12-14-27-15-13-24/h2-6,16H,1,7-15H2,(H2,21,22,26).
What are the key properties of 1-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-prop-2-enylurea?
1-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-prop-2-enylurea has a molecular weight of 372.47 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-prop-2-enylurea is sourced from PubChem (CID 46038618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).