1-cyclohexyl-3-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-1-ium-4-yl]urea

C20H29FN3O2+ — CID 7411593

IUPAC1-cyclohexyl-3-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-1-ium-4-yl]urea
SMILESO=C(NC1CCCCC1)NC1CC[NH+](CC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H28FN3O2/c21-16-8-6-15(7-9-16)19(25)14-24-12-10-18(11-13-24)23-20(26)22-17-4-2-1-3-5-17/h6-9,17-18H,1-5,10-14H2,(H2,22,23,26)/p+1
InChIKeyXAQBWIBDAYCLCF-UHFFFAOYSA-O
MW362.47 g/mol
LogP1.69
Rot. Bonds5

About 1-cyclohexyl-3-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-1-ium-4-yl]urea

1-cyclohexyl-3-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-1-ium-4-yl]urea (PubChem CID 7411593) has the molecular formula C20H29FN3O2+ and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-1-ium-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-1-ium-4-yl]urea
PubChem CID7411593
Molecular FormulaC20H29FN3O2+
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name1-cyclohexyl-3-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-1-ium-4-yl]urea
SMILESO=C(NC1CCCCC1)NC1CC[NH+](CC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H28FN3O2/c21-16-8-6-15(7-9-16)19(25)14-24-12-10-18(11-13-24)23-20(26)22-17-4-2-1-3-5-17/h6-9,17-18H,1-5,10-14H2,(H2,22,23,26)/p+1
InChIKeyXAQBWIBDAYCLCF-UHFFFAOYSA-O
XLogP1.69
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-1-ium-4-yl]-2-phenylacetamide
CID 7411522
N-cyclopentyl-1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7323463
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2634322
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7042925
N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-4-methoxybenzamide
CID 7411787
2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide
CID 51086390
1-cycloheptyl-3-[2-(4-fluorophenyl)propan-2-yl]urea
CID 113216151
1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea
CID 115588349
1-cyclobutyl-3-cyclohexylurea
CID 17217147
N-[2-(cycloheptylamino)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 119620648
2-(cyclopentylsulfamoylamino)-1-(4-fluorophenyl)ethanone
CID 110607576

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-1-ium-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-1-ium-4-yl]urea (CID 7411593) is 1-cyclohexyl-3-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-1-ium-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-1-ium-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-1-ium-4-yl]urea is O=C(NC1CCCCC1)NC1CC[NH+](CC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-1-ium-4-yl]urea?
The InChIKey is XAQBWIBDAYCLCF-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H28FN3O2/c21-16-8-6-15(7-9-16)19(25)14-24-12-10-18(11-13-24)23-20(26)22-17-4-2-1-3-5-17/h6-9,17-18H,1-5,10-14H2,(H2,22,23,26)/p+1.
What are the key properties of 1-cyclohexyl-3-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-1-ium-4-yl]urea?
1-cyclohexyl-3-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-1-ium-4-yl]urea has a molecular weight of 362.47 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-1-ium-4-yl]urea is sourced from PubChem (CID 7411593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).