N-[1-(2,4-difluorophenyl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C17H25ClF2N2O2 — CID 120634751

IUPACN-[1-(2,4-difluorophenyl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCCC(NC(=O)C1(COC)CCNCC1)c1ccc(F)cc1F.Cl
InChIInChI=1S/C17H24F2N2O2.ClH/c1-3-15(13-5-4-12(18)10-14(13)19)21-16(22)17(11-23-2)6-8-20-9-7-17;/h4-5,10,15,20H,3,6-9,11H2,1-2H3,(H,21,22);1H
InChIKeyIQSFAYUGUKGPAL-UHFFFAOYSA-N
MW362.85 g/mol
LogP2.97
Rot. Bonds6

About N-[1-(2,4-difluorophenyl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[1-(2,4-difluorophenyl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120634751) has the molecular formula C17H25ClF2N2O2 and a molecular weight of 362.85 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120634751
Molecular FormulaC17H25ClF2N2O2
Molecular Weight362.85 g/mol
Exact Mass362.16
IUPAC NameN-[1-(2,4-difluorophenyl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCCC(NC(=O)C1(COC)CCNCC1)c1ccc(F)cc1F.Cl
InChIInChI=1S/C17H24F2N2O2.ClH/c1-3-15(13-5-4-12(18)10-14(13)19)21-16(22)17(11-23-2)6-8-20-9-7-17;/h4-5,10,15,20H,3,6-9,11H2,1-2H3,(H,21,22);1H
InChIKeyIQSFAYUGUKGPAL-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.85
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617899
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634609
[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride
CID 120647394
4-(aminomethyl)-N-[1-(2,4-difluorophenyl)propyl]oxane-4-carboxamide
CID 120934203
N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637838
N-[1-(2,4-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617622
2-amino-N-[1-(2,4-difluorophenyl)propyl]acetamide
CID 119330686
4-amino-N-[1-(2,4-difluorophenyl)propyl]-3-methoxybutanamide;hydrochloride
CID 120592889
N-[1-(2,4-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 63139722
3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide
CID 119330684
N-[2-(4-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120636214
2-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methylpentanamide;hydrochloride
CID 119796320

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2,4-difluorophenyl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120634751) is N-[1-(2,4-difluorophenyl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2,4-difluorophenyl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is CCC(NC(=O)C1(COC)CCNCC1)c1ccc(F)cc1F.Cl.
What is the InChIKey of N-[1-(2,4-difluorophenyl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is IQSFAYUGUKGPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2.ClH/c1-3-15(13-5-4-12(18)10-14(13)19)21-16(22)17(11-23-2)6-8-20-9-7-17;/h4-5,10,15,20H,3,6-9,11H2,1-2H3,(H,21,22);1H.
What are the key properties of N-[1-(2,4-difluorophenyl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[1-(2,4-difluorophenyl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 362.85 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120634751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).