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N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C16H23Cl2FN2O2 — CID 120634609

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NC(C)c2ccc(F)cc2Cl)CCNCC1.Cl
InChIInChI=1S/C16H22ClFN2O2.ClH/c1-11(13-4-3-12(18)9-14(13)17)20-15(21)16(10-22-2)5-7-19-8-6-16;/h3-4,9,11,19H,5-8,10H2,1-2H3,(H,20,21);1H
InChIKeyHGPDPUDCOYXHRQ-UHFFFAOYSA-N
MW365.28 g/mol
LogP3.09
Rot. Bonds5

About N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120634609) has the molecular formula C16H23Cl2FN2O2 and a molecular weight of 365.28 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120634609
Molecular FormulaC16H23Cl2FN2O2
Molecular Weight365.28 g/mol
Exact Mass364.11
IUPAC NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NC(C)c2ccc(F)cc2Cl)CCNCC1.Cl
InChIInChI=1S/C16H22ClFN2O2.ClH/c1-11(13-4-3-12(18)9-14(13)17)20-15(21)16(10-22-2)5-7-19-8-6-16;/h3-4,9,11,19H,5-8,10H2,1-2H3,(H,20,21);1H
InChIKeyHGPDPUDCOYXHRQ-UHFFFAOYSA-N
XLogP3.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120634609) is N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NC(C)c2ccc(F)cc2Cl)CCNCC1.Cl.
What is the InChIKey of N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is HGPDPUDCOYXHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O2.ClH/c1-11(13-4-3-12(18)9-14(13)17)20-15(21)16(10-22-2)5-7-19-8-6-16;/h3-4,9,11,19H,5-8,10H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 365.28 g/mol, XLogP of 3.09, 5 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-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120634609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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