N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride

C18H26ClFN2O2 — CID 119303720

IUPACN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(c2ccc(F)cc2)CCOCC1)C1CCCNC1
InChIInChI=1S/C18H25FN2O2.ClH/c19-16-5-3-15(4-6-16)18(7-10-23-11-8-18)13-21-17(22)14-2-1-9-20-12-14;/h3-6,14,20H,1-2,7-13H2,(H,21,22);1H
InChIKeyAMEIOZIXZHSTOK-UHFFFAOYSA-N
MW356.87 g/mol
LogP2.41
Rot. Bonds4

About N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119303720) has the molecular formula C18H26ClFN2O2 and a molecular weight of 356.87 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119303720
Molecular FormulaC18H26ClFN2O2
Molecular Weight356.87 g/mol
Exact Mass356.17
IUPAC NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(c2ccc(F)cc2)CCOCC1)C1CCCNC1
InChIInChI=1S/C18H25FN2O2.ClH/c19-16-5-3-15(4-6-16)18(7-10-23-11-8-18)13-21-17(22)14-2-1-9-20-12-14;/h3-6,14,20H,1-2,7-13H2,(H,21,22);1H
InChIKeyAMEIOZIXZHSTOK-UHFFFAOYSA-N
XLogP2.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.87
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119293576
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-3-carboxamide
CID 119293577
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119303754
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide
CID 110482446
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749600
(1S)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 94614538
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119738816
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide
CID 119310492
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877832
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119761194
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749930
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119731232

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride (CID 119303720) is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(NCC1(c2ccc(F)cc2)CCOCC1)C1CCCNC1.
What is the InChIKey of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is AMEIOZIXZHSTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2.ClH/c19-16-5-3-15(4-6-16)18(7-10-23-11-8-18)13-21-17(22)14-2-1-9-20-12-14;/h3-6,14,20H,1-2,7-13H2,(H,21,22);1H.
What are the key properties of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride?
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 356.87 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119303720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).