N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide

C21H31FN2O2 — CID 51127399

IUPACN-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C21H31FN2O2/c1-16(26-20-9-7-18(22)8-10-20)21(25)23-19-11-13-24(14-12-19)15-17-5-3-2-4-6-17/h7-10,16-17,19H,2-6,11-15H2,1H3,(H,23,25)
InChIKeyGCETYUBJPHPJHF-UHFFFAOYSA-N
MW362.49 g/mol
LogP3.75
Rot. Bonds6

About N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide

N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide (PubChem CID 51127399) has the molecular formula C21H31FN2O2 and a molecular weight of 362.49 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide
PubChem CID51127399
Molecular FormulaC21H31FN2O2
Molecular Weight362.49 g/mol
Exact Mass362.24
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C21H31FN2O2/c1-16(26-20-9-7-18(22)8-10-20)21(25)23-19-11-13-24(14-12-19)15-17-5-3-2-4-6-17/h7-10,16-17,19H,2-6,11-15H2,1H3,(H,23,25)
InChIKeyGCETYUBJPHPJHF-UHFFFAOYSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
2-(4-cyanophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide
CID 47083560
2-(4-fluorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 25236761
N-cyclohexyl-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 4817669
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8935817
(2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide
CID 7817937
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8935810
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
(2R)-N'-(3-cyclopentylpropanoyl)-2-(4-fluorophenoxy)propanehydrazide
CID 7965228
2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide
CID 57311087
4-cyclohexyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]butanehydrazide
CID 7965238
4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084651

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide (CID 51127399) is N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide is CC(Oc1ccc(F)cc1)C(=O)NC1CCN(CC2CCCCC2)CC1.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide?
The InChIKey is GCETYUBJPHPJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O2/c1-16(26-20-9-7-18(22)8-10-20)21(25)23-19-11-13-24(14-12-19)15-17-5-3-2-4-6-17/h7-10,16-17,19H,2-6,11-15H2,1H3,(H,23,25).
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide?
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide has a molecular weight of 362.49 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 51127399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).