N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide

C15H20ClFN2O2 — CID 119795506

IUPACN-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NC(C)c2ccc(F)cc2Cl)CCNCC1
InChIInChI=1S/C15H20ClFN2O2/c1-10(12-4-3-11(17)9-13(12)16)19-14(20)15(21-2)5-7-18-8-6-15/h3-4,9-10,18H,5-8H2,1-2H3,(H,19,20)
InChIKeyPSXXVBGKPSNFIN-UHFFFAOYSA-N
MW314.79 g/mol
LogP2.42
Rot. Bonds4

About N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide

N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119795506) has the molecular formula C15H20ClFN2O2 and a molecular weight of 314.79 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119795506
Molecular FormulaC15H20ClFN2O2
Molecular Weight314.79 g/mol
Exact Mass314.12
IUPAC NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NC(C)c2ccc(F)cc2Cl)CCNCC1
InChIInChI=1S/C15H20ClFN2O2/c1-10(12-4-3-11(17)9-13(12)16)19-14(20)15(21-2)5-7-18-8-6-15/h3-4,9-10,18H,5-8H2,1-2H3,(H,19,20)
InChIKeyPSXXVBGKPSNFIN-UHFFFAOYSA-N
XLogP2.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119683871
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119686419
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634609
4-methoxy-N-[1-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119683042
N-[1-(2,4-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617622
N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617899
N-(2,4-difluorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119673285
N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119738672
4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 119721118
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 81379266
4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 119695871
N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708344

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide (CID 119795506) is N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NC(C)c2ccc(F)cc2Cl)CCNCC1.
What is the InChIKey of N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is PSXXVBGKPSNFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O2/c1-10(12-4-3-11(17)9-13(12)16)19-14(20)15(21-2)5-7-18-8-6-15/h3-4,9-10,18H,5-8H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 314.79 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119795506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).