N-(3-chloro-4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide

C17H22ClFN2O2 — CID 124504771

IUPACN-(3-chloro-4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCN(C[C@H]2CCCO2)CC1
InChIInChI=1S/C17H22ClFN2O2/c18-15-10-13(3-4-16(15)19)20-17(22)12-5-7-21(8-6-12)11-14-2-1-9-23-14/h3-4,10,12,14H,1-2,5-9,11H2,(H,20,22)/t14-/m1/s1
InChIKeySGTKSNVIWYQFQY-CQSZACIVSA-N
MW340.83 g/mol
LogP3.31
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 124504771) has the molecular formula C17H22ClFN2O2 and a molecular weight of 340.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
PubChem CID124504771
Molecular FormulaC17H22ClFN2O2
Molecular Weight340.83 g/mol
Exact Mass340.14
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCN(C[C@H]2CCCO2)CC1
InChIInChI=1S/C17H22ClFN2O2/c18-15-10-13(3-4-16(15)19)20-17(22)12-5-7-21(8-6-12)11-14-2-1-9-23-14/h3-4,10,12,14H,1-2,5-9,11H2,(H,20,22)/t14-/m1/s1
InChIKeySGTKSNVIWYQFQY-CQSZACIVSA-N
XLogP3.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 71938113
N-(3-chloro-4-fluorophenyl)-1-(3-hydroxypropyl)piperidine-4-carboxamide
CID 111148135
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 51969635
N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923094
N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 55337800
1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119325792
1-[(4-chloro-2-fluorophenyl)methyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 100684708
1-[4-(aminomethyl)oxane-4-carbonyl]-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 120932978
N-(3-chloro-4-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31789168
N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43923085
N-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182741

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide (CID 124504771) is N-(3-chloro-4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C[C@H]2CCCO2)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is SGTKSNVIWYQFQY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22ClFN2O2/c18-15-10-13(3-4-16(15)19)20-17(22)12-5-7-21(8-6-12)11-14-2-1-9-23-14/h3-4,10,12,14H,1-2,5-9,11H2,(H,20,22)/t14-/m1/s1.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 340.83 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 124504771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).