N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide;hydrochloride

C17H24ClFN2O3 — CID 119321171

IUPACN-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(F)ccc1OCC1CCCO1)C1CCCNC1
InChIInChI=1S/C17H23FN2O3.ClH/c18-13-5-6-16(23-11-14-4-2-8-22-14)15(9-13)20-17(21)12-3-1-7-19-10-12;/h5-6,9,12,14,19H,1-4,7-8,10-11H2,(H,20,21);1H
InChIKeyODWBNCPFVBCGKN-UHFFFAOYSA-N
MW358.84 g/mol
LogP2.74
Rot. Bonds5

About N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide;hydrochloride

N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119321171) has the molecular formula C17H24ClFN2O3 and a molecular weight of 358.84 g/mol. Its IUPAC name is N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119321171
Molecular FormulaC17H24ClFN2O3
Molecular Weight358.84 g/mol
Exact Mass358.15
IUPAC NameN-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(F)ccc1OCC1CCCO1)C1CCCNC1
InChIInChI=1S/C17H23FN2O3.ClH/c18-13-5-6-16(23-11-14-4-2-8-22-14)15(9-13)20-17(21)12-3-1-7-19-10-12;/h5-6,9,12,14,19H,1-4,7-8,10-11H2,(H,20,21);1H
InChIKeyODWBNCPFVBCGKN-UHFFFAOYSA-N
XLogP2.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.84
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride
CID 119333297
N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-1-carboxamide
CID 95616338
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 56783387
1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 95334266
N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119324692
(3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide
CID 81124349
4-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119321173
5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide
CID 126794671
(3R,4S)-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120931851
2-[5-fluoro-2-(oxolan-2-ylmethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168609356
N-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide
CID 95330766
3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide
CID 120500648

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide;hydrochloride (CID 119321171) is N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cc(F)ccc1OCC1CCCO1)C1CCCNC1.
What is the InChIKey of N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is ODWBNCPFVBCGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3.ClH/c18-13-5-6-16(23-11-14-4-2-8-22-14)15(9-13)20-17(21)12-3-1-7-19-10-12;/h5-6,9,12,14,19H,1-4,7-8,10-11H2,(H,20,21);1H.
What are the key properties of N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide;hydrochloride?
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 358.84 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119321171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).