1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea

C18H26FN3O2 — CID 110822705

IUPAC1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea
SMILESCCCNC(=O)NC1CCN(C(=O)CCc2ccccc2F)CC1
InChIInChI=1S/C18H26FN3O2/c1-2-11-20-18(24)21-15-9-12-22(13-10-15)17(23)8-7-14-5-3-4-6-16(14)19/h3-6,15H,2,7-13H2,1H3,(H2,20,21,24)
InChIKeyQWRZPNJECJXMCD-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.46
Rot. Bonds6

About 1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea

1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea (PubChem CID 110822705) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea.

Molecular Properties

Compound Name1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea
PubChem CID110822705
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea
SMILESCCCNC(=O)NC1CCN(C(=O)CCc2ccccc2F)CC1
InChIInChI=1S/C18H26FN3O2/c1-2-11-20-18(24)21-15-9-12-22(13-10-15)17(23)8-7-14-5-3-4-6-16(14)19/h3-6,15H,2,7-13H2,1H3,(H2,20,21,24)
InChIKeyQWRZPNJECJXMCD-UHFFFAOYSA-N
XLogP2.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822692
4-[3-(2-fluorophenyl)propanoylamino]-N-propylpiperidine-1-carboxamide
CID 110822027
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide
CID 110822698
1-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-propylurea
CID 110820802
3-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
CID 110819642
1-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-3-propylurea
CID 110822794
3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119560045
3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one
CID 110721311
1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55778891
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 18152351
1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea
CID 110820264
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide
CID 110819444

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea?
The IUPAC name of 1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea (CID 110822705) is 1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea.
What is the SMILES notation for 1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea?
The canonical SMILES for 1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea is CCCNC(=O)NC1CCN(C(=O)CCc2ccccc2F)CC1.
What is the InChIKey of 1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea?
The InChIKey is QWRZPNJECJXMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-2-11-20-18(24)21-15-9-12-22(13-10-15)17(23)8-7-14-5-3-4-6-16(14)19/h3-6,15H,2,7-13H2,1H3,(H2,20,21,24).
What are the key properties of 1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea?
1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea has a molecular weight of 335.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea is sourced from PubChem (CID 110822705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).