N-cyclohexyl-2-[1-(2-fluoro-2-phenylethyl)-4-hydroxypiperidin-4-yl]butanamide

C23H35FN2O2 — CID 57164548

IUPACN-cyclohexyl-2-[1-(2-fluoro-2-phenylethyl)-4-hydroxypiperidin-4-yl]butanamide
SMILESCCC(C(=O)NC1CCCCC1)C1(O)CCN(CC(F)c2ccccc2)CC1
InChIInChI=1S/C23H35FN2O2/c1-2-20(22(27)25-19-11-7-4-8-12-19)23(28)13-15-26(16-14-23)17-21(24)18-9-5-3-6-10-18/h3,5-6,9-10,19-21,28H,2,4,7-8,11-17H2,1H3,(H,25,27)
InChIKeyYOQIHLKWYOTAEJ-UHFFFAOYSA-N
MW390.54 g/mol
LogP4.00
Rot. Bonds7

About N-cyclohexyl-2-[1-(2-fluoro-2-phenylethyl)-4-hydroxypiperidin-4-yl]butanamide

N-cyclohexyl-2-[1-(2-fluoro-2-phenylethyl)-4-hydroxypiperidin-4-yl]butanamide (PubChem CID 57164548) has the molecular formula C23H35FN2O2 and a molecular weight of 390.54 g/mol. Its IUPAC name is N-cyclohexyl-2-[1-(2-fluoro-2-phenylethyl)-4-hydroxypiperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[1-(2-fluoro-2-phenylethyl)-4-hydroxypiperidin-4-yl]butanamide
PubChem CID57164548
Molecular FormulaC23H35FN2O2
Molecular Weight390.54 g/mol
Exact Mass390.27
IUPAC NameN-cyclohexyl-2-[1-(2-fluoro-2-phenylethyl)-4-hydroxypiperidin-4-yl]butanamide
SMILESCCC(C(=O)NC1CCCCC1)C1(O)CCN(CC(F)c2ccccc2)CC1
InChIInChI=1S/C23H35FN2O2/c1-2-20(22(27)25-19-11-7-4-8-12-19)23(28)13-15-26(16-14-23)17-21(24)18-9-5-3-6-10-18/h3,5-6,9-10,19-21,28H,2,4,7-8,11-17H2,1H3,(H,25,27)
InChIKeyYOQIHLKWYOTAEJ-UHFFFAOYSA-N
XLogP4.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-chloro-2-phenylethyl)-4-hydroxypiperidin-4-yl]-N-propan-2-ylbutanamide
CID 57303868
N-cycloheptyl-2-phenylbutanamide
CID 2890971
(2S)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylsulfanylbutanamide
CID 95621085
N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide
CID 1250894
2-[1-(2-chloro-2-phenylethyl)-4-hydroxypiperidin-4-yl]heptanamide
CID 57182073
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
(2R)-2-amino-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide
CID 61169816
(2R)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 101462807
(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide
CID 1246145
3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one
CID 145155415
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[1-(2-fluoro-2-phenylethyl)-4-hydroxypiperidin-4-yl]butanamide?
The IUPAC name of N-cyclohexyl-2-[1-(2-fluoro-2-phenylethyl)-4-hydroxypiperidin-4-yl]butanamide (CID 57164548) is N-cyclohexyl-2-[1-(2-fluoro-2-phenylethyl)-4-hydroxypiperidin-4-yl]butanamide.
What is the SMILES notation for N-cyclohexyl-2-[1-(2-fluoro-2-phenylethyl)-4-hydroxypiperidin-4-yl]butanamide?
The canonical SMILES for N-cyclohexyl-2-[1-(2-fluoro-2-phenylethyl)-4-hydroxypiperidin-4-yl]butanamide is CCC(C(=O)NC1CCCCC1)C1(O)CCN(CC(F)c2ccccc2)CC1.
What is the InChIKey of N-cyclohexyl-2-[1-(2-fluoro-2-phenylethyl)-4-hydroxypiperidin-4-yl]butanamide?
The InChIKey is YOQIHLKWYOTAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35FN2O2/c1-2-20(22(27)25-19-11-7-4-8-12-19)23(28)13-15-26(16-14-23)17-21(24)18-9-5-3-6-10-18/h3,5-6,9-10,19-21,28H,2,4,7-8,11-17H2,1H3,(H,25,27).
What are the key properties of N-cyclohexyl-2-[1-(2-fluoro-2-phenylethyl)-4-hydroxypiperidin-4-yl]butanamide?
N-cyclohexyl-2-[1-(2-fluoro-2-phenylethyl)-4-hydroxypiperidin-4-yl]butanamide has a molecular weight of 390.54 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[1-(2-fluoro-2-phenylethyl)-4-hydroxypiperidin-4-yl]butanamide is sourced from PubChem (CID 57164548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).