1-naphthalen-1-yl-3-(1-prop-2-enoylpiperidin-4-yl)urea

C19H21N3O2 — CID 166404367

IUPAC1-naphthalen-1-yl-3-(1-prop-2-enoylpiperidin-4-yl)urea
SMILESC=CC(=O)N1CCC(NC(=O)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C19H21N3O2/c1-2-18(23)22-12-10-15(11-13-22)20-19(24)21-17-9-5-7-14-6-3-4-8-16(14)17/h2-9,15H,1,10-13H2,(H2,20,21,24)
InChIKeyRMSGXWWOIOXGMX-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.14
Rot. Bonds3

About 1-naphthalen-1-yl-3-(1-prop-2-enoylpiperidin-4-yl)urea

1-naphthalen-1-yl-3-(1-prop-2-enoylpiperidin-4-yl)urea (PubChem CID 166404367) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-(1-prop-2-enoylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-(1-prop-2-enoylpiperidin-4-yl)urea
PubChem CID166404367
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-naphthalen-1-yl-3-(1-prop-2-enoylpiperidin-4-yl)urea
SMILESC=CC(=O)N1CCC(NC(=O)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C19H21N3O2/c1-2-18(23)22-12-10-15(11-13-22)20-19(24)21-17-9-5-7-14-6-3-4-8-16(14)17/h2-9,15H,1,10-13H2,(H2,20,21,24)
InChIKeyRMSGXWWOIOXGMX-UHFFFAOYSA-N
XLogP3.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-yl-3-piperidin-4-ylurea
CID 16790595
1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049579
1-[1-(3-methylphenyl)pyrrolidin-3-yl]-3-naphthalen-1-ylurea
CID 22327579
4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 30705203
1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633505
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
(3R)-3-hydroxy-3-phenyl-N-(1-prop-2-enoylpiperidin-4-yl)propanamide
CID 167839836
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
N-cyclododecyl-N'-naphthalen-1-yloxamide
CID 108517411
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-(1-prop-2-enoylpiperidin-4-yl)urea?
The IUPAC name of 1-naphthalen-1-yl-3-(1-prop-2-enoylpiperidin-4-yl)urea (CID 166404367) is 1-naphthalen-1-yl-3-(1-prop-2-enoylpiperidin-4-yl)urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-(1-prop-2-enoylpiperidin-4-yl)urea?
The canonical SMILES for 1-naphthalen-1-yl-3-(1-prop-2-enoylpiperidin-4-yl)urea is C=CC(=O)N1CCC(NC(=O)Nc2cccc3ccccc23)CC1.
What is the InChIKey of 1-naphthalen-1-yl-3-(1-prop-2-enoylpiperidin-4-yl)urea?
The InChIKey is RMSGXWWOIOXGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-18(23)22-12-10-15(11-13-22)20-19(24)21-17-9-5-7-14-6-3-4-8-16(14)17/h2-9,15H,1,10-13H2,(H2,20,21,24).
What are the key properties of 1-naphthalen-1-yl-3-(1-prop-2-enoylpiperidin-4-yl)urea?
1-naphthalen-1-yl-3-(1-prop-2-enoylpiperidin-4-yl)urea has a molecular weight of 323.40 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-(1-prop-2-enoylpiperidin-4-yl)urea is sourced from PubChem (CID 166404367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).