N-ethyl-1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide

C18H27FN2O3 — CID 110898076

IUPACN-ethyl-1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(CC(O)COCc2ccccc2F)CC1
InChIInChI=1S/C18H27FN2O3/c1-2-20-18(23)14-7-9-21(10-8-14)11-16(22)13-24-12-15-5-3-4-6-17(15)19/h3-6,14,16,22H,2,7-13H2,1H3,(H,20,23)
InChIKeyRCMIHUOKFPQRHS-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.55
Rot. Bonds8

About N-ethyl-1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide

N-ethyl-1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide (PubChem CID 110898076) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is N-ethyl-1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
PubChem CID110898076
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC NameN-ethyl-1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(CC(O)COCc2ccccc2F)CC1
InChIInChI=1S/C18H27FN2O3/c1-2-20-18(23)14-7-9-21(10-8-14)11-16(22)13-24-12-15-5-3-4-6-17(15)19/h3-6,14,16,22H,2,7-13H2,1H3,(H,20,23)
InChIKeyRCMIHUOKFPQRHS-UHFFFAOYSA-N
XLogP1.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide
CID 134055072
(2S)-1-[(2-fluorophenyl)methoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 2314434
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 95352978
(2S)-1-[(2-fluorophenyl)methoxy]-3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 95352976
1-[(2-fluorophenyl)methoxy]-3-(4-phenylmethoxypiperidin-1-yl)propan-2-ol
CID 86913317
(2R)-1-[(2-fluorophenyl)methoxy]-3-(4-methylsulfonylpiperazin-1-yl)propan-2-ol
CID 32973607
(2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 95336881
1-(2-ethylpiperidin-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 17390802
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol
CID 95137870
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol
CID 94806087
1-[(2-fluorophenyl)methoxy]-3-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-2-ol
CID 110913010
(2S)-1-[(2-fluorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1217435

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide (CID 110898076) is N-ethyl-1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide is CCNC(=O)C1CCN(CC(O)COCc2ccccc2F)CC1.
What is the InChIKey of N-ethyl-1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide?
The InChIKey is RCMIHUOKFPQRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-2-20-18(23)14-7-9-21(10-8-14)11-16(22)13-24-12-15-5-3-4-6-17(15)19/h3-6,14,16,22H,2,7-13H2,1H3,(H,20,23).
What are the key properties of N-ethyl-1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide?
N-ethyl-1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide is sourced from PubChem (CID 110898076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).