4-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide

C19H27FN2O2 — CID 119069495

IUPAC4-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O2/c20-16-3-1-14(2-4-16)13-15-9-11-22(12-10-15)19(24)21-17-5-7-18(23)8-6-17/h1-4,15,17-18,23H,5-13H2,(H,21,24)
InChIKeyVJPRRRONMSIWRC-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.09
Rot. Bonds3

About 4-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide

4-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide (PubChem CID 119069495) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide
PubChem CID119069495
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name4-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O2/c20-16-3-1-14(2-4-16)13-15-9-11-22(12-10-15)19(24)21-17-5-7-18(23)8-6-17/h1-4,15,17-18,23H,5-13H2,(H,21,24)
InChIKeyVJPRRRONMSIWRC-UHFFFAOYSA-N
XLogP3.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5R,6R)-Tetrahydro-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone
CID 475826
1-(4-Hydroxycyclohexyl)-3-(4-phenylbutyl)urea
CID 154665770
1-(4-Hydroxy-2-methylcyclohexyl)-3-(4-phenylbutyl)urea
CID 154665781
1-[(4-Fluorophenyl)methyl]-3-[[4-(2-hydroxy-3-methylbutyl)phenyl]methyl]-1-(1-methylpiperidin-4-yl)urea
CID 169490288
4-Benzyl-5-hydroxy-6-(2-phenylethyl)-1,3-diazinan-2-one
CID 49823222
N-benzyl-4-(3-fluorobenzyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 16190463
1-[2-(2-Fluorophenyl)ethyl]-3-(4-hydroxycyclohexyl)urea
CID 45875839
1-(2-Cyclohexyl-2-hydroxyethyl)-3-(3-phenylpropyl)urea
CID 56764370
1-Cyclohexyl-3-(2-hydroxy-3-phenylpropyl)urea
CID 56765316
1-benzhydryl-3-(3-hydroxy-3-(tetrahydro-2H-pyran-4-yl)propyl)urea
CID 86266701
(4S,6S)-4,6-Dibenzyl-5-hydroxy-tetrahydro-pyrimidin-2-one
CID 466838
3-Ethyl-1-[4-(4-fluorophenyl)-4-hydroxybutyl]-1-propan-2-ylurea
CID 4170748

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide (CID 119069495) is 4-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide is O=C(NC1CCC(O)CC1)N1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide?
The InChIKey is VJPRRRONMSIWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c20-16-3-1-14(2-4-16)13-15-9-11-22(12-10-15)19(24)21-17-5-7-18(23)8-6-17/h1-4,15,17-18,23H,5-13H2,(H,21,24).
What are the key properties of 4-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide?
4-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide is sourced from PubChem (CID 119069495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).