N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide

C17H25FN2O3 — CID 120636251

IUPACN-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCC(C)Oc2cccc(F)c2)CCNCC1
InChIInChI=1S/C17H25FN2O3/c1-13(23-15-5-3-4-14(18)10-15)11-20-16(21)17(12-22-2)6-8-19-9-7-17/h3-5,10,13,19H,6-9,11-12H2,1-2H3,(H,20,21)
InChIKeyKQKNIOMPRVYLPS-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.73
Rot. Bonds7

About N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120636251) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120636251
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC NameN-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCC(C)Oc2cccc(F)c2)CCNCC1
InChIInChI=1S/C17H25FN2O3/c1-13(23-15-5-3-4-14(18)10-15)11-20-16(21)17(12-22-2)6-8-19-9-7-17/h3-5,10,13,19H,6-9,11-12H2,1-2H3,(H,20,21)
InChIKeyKQKNIOMPRVYLPS-UHFFFAOYSA-N
XLogP1.73
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120636250
N-[2-(4-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120636214
4-(methoxymethyl)-N-[2-(3-methoxyphenoxy)propyl]piperidine-4-carboxamide;hydrochloride
CID 120636224
4-(methoxymethyl)-N-[2-(4-methoxyphenoxy)propyl]piperidine-4-carboxamide
CID 120622626
N-[2-(2-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120636265
4-(methoxymethyl)-N-[2-(2-methoxyphenoxy)propyl]piperidine-4-carboxamide
CID 120636259
N-[2-(3-fluorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120634720
4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 120622091
N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide
CID 119804736
N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624422
N-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624362
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120635556

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120636251) is N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)NCC(C)Oc2cccc(F)c2)CCNCC1.
What is the InChIKey of N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is KQKNIOMPRVYLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-13(23-15-5-3-4-14(18)10-15)11-20-16(21)17(12-22-2)6-8-19-9-7-17/h3-5,10,13,19H,6-9,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120636251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).