N-[2-(4-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C17H26ClFN2O3 — CID 120636214

IUPACN-[2-(4-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCC(C)Oc2ccc(F)cc2)CCNCC1.Cl
InChIInChI=1S/C17H25FN2O3.ClH/c1-13(23-15-5-3-14(18)4-6-15)11-20-16(21)17(12-22-2)7-9-19-10-8-17;/h3-6,13,19H,7-12H2,1-2H3,(H,20,21);1H
InChIKeyOCNLJBNZQBZRTN-UHFFFAOYSA-N
MW360.86 g/mol
LogP2.15
Rot. Bonds7

About N-[2-(4-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[2-(4-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120636214) has the molecular formula C17H26ClFN2O3 and a molecular weight of 360.86 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120636214
Molecular FormulaC17H26ClFN2O3
Molecular Weight360.86 g/mol
Exact Mass360.16
IUPAC NameN-[2-(4-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCC(C)Oc2ccc(F)cc2)CCNCC1.Cl
InChIInChI=1S/C17H25FN2O3.ClH/c1-13(23-15-5-3-14(18)4-6-15)11-20-16(21)17(12-22-2)7-9-19-10-8-17;/h3-6,13,19H,7-12H2,1-2H3,(H,20,21);1H
InChIKeyOCNLJBNZQBZRTN-UHFFFAOYSA-N
XLogP2.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120636214) is N-[2-(4-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NCC(C)Oc2ccc(F)cc2)CCNCC1.Cl.
What is the InChIKey of N-[2-(4-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is OCNLJBNZQBZRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3.ClH/c1-13(23-15-5-3-14(18)4-6-15)11-20-16(21)17(12-22-2)7-9-19-10-8-17;/h3-6,13,19H,7-12H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[2-(4-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[2-(4-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 360.86 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120636214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).