N-[2-(3-fluorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide

C18H27FN2O2 — CID 120634720

IUPACN-[2-(3-fluorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCC(C)(C)c2cccc(F)c2)CCNCC1
InChIInChI=1S/C18H27FN2O2/c1-17(2,14-5-4-6-15(19)11-14)12-21-16(22)18(13-23-3)7-9-20-10-8-18/h4-6,11,20H,7-10,12-13H2,1-3H3,(H,21,22)
InChIKeyOYJPPAUUQWQFEG-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.24
Rot. Bonds6

About N-[2-(3-fluorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[2-(3-fluorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120634720) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120634720
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC NameN-[2-(3-fluorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCC(C)(C)c2cccc(F)c2)CCNCC1
InChIInChI=1S/C18H27FN2O2/c1-17(2,14-5-4-6-15(19)11-14)12-21-16(22)18(13-23-3)7-9-20-10-8-18/h4-6,11,20H,7-10,12-13H2,1-3H3,(H,21,22)
InChIKeyOYJPPAUUQWQFEG-UHFFFAOYSA-N
XLogP2.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120636251
N-[2-(2-chlorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120630764
4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120617133
N-(2-hydroxy-2-methylpropyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114042041
N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120636250
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-hydroxy-2-methylpropanamide
CID 115179051
N-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159147
N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119796132
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152192
N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide
CID 115194299
[2-(3-fluorophenyl)-2-methylpropyl]urea
CID 115168840
4-(methoxymethyl)-N-(2,2,3,3-tetrafluoropropyl)piperidine-4-carboxamide
CID 106291735

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120634720) is N-[2-(3-fluorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)NCC(C)(C)c2cccc(F)c2)CCNCC1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is OYJPPAUUQWQFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-17(2,14-5-4-6-15(19)11-14)12-21-16(22)18(13-23-3)7-9-20-10-8-18/h4-6,11,20H,7-10,12-13H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(3-fluorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[2-(3-fluorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 322.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120634720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).