1-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-methylpiperidine-4-carboxamide

C20H27FN2O3 — CID 110090804

IUPAC1-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(N)=O)CCN(C(=O)C2(Cc3ccccc3F)CCOCC2)CC1
InChIInChI=1S/C20H27FN2O3/c1-19(17(22)24)6-10-23(11-7-19)18(25)20(8-12-26-13-9-20)14-15-4-2-3-5-16(15)21/h2-5H,6-14H2,1H3,(H2,22,24)
InChIKeyNLUFNKWUTQATIX-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.28
Rot. Bonds4

About 1-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-methylpiperidine-4-carboxamide

1-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-methylpiperidine-4-carboxamide (PubChem CID 110090804) has the molecular formula C20H27FN2O3 and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-methylpiperidine-4-carboxamide
PubChem CID110090804
Molecular FormulaC20H27FN2O3
Molecular Weight362.45 g/mol
Exact Mass362.20
IUPAC Name1-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(N)=O)CCN(C(=O)C2(Cc3ccccc3F)CCOCC2)CC1
InChIInChI=1S/C20H27FN2O3/c1-19(17(22)24)6-10-23(11-7-19)18(25)20(8-12-26-13-9-20)14-15-4-2-3-5-16(15)21/h2-5H,6-14H2,1H3,(H2,22,24)
InChIKeyNLUFNKWUTQATIX-UHFFFAOYSA-N
XLogP2.28
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-fluorophenyl)methyl]oxan-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 155986729
(5R)-7-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 129459763
1-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 132779594
1-[2-(2-fluorophenyl)acetyl]-4-methylpiperidine-4-carbothioamide
CID 107161132
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124986057
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(4S)-4-(quinolin-3-ylmethyl)azepan-1-yl]methanone
CID 129455337
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 120929572
[(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-[(2-fluorophenyl)methyl]oxan-4-yl]methanone
CID 129454505
(4aS,7aS)-6-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-(2-phenylethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 110150961
[1-[(2-fluorophenyl)methyl]cyclopropyl]-(9-methylimino-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-4-yl)methanone
CID 146114652
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 110148840
[4-[(2-fluorophenyl)methyl]oxan-4-yl]methanol
CID 66024317

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-methylpiperidine-4-carboxamide (CID 110090804) is 1-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-methylpiperidine-4-carboxamide is CC1(C(N)=O)CCN(C(=O)C2(Cc3ccccc3F)CCOCC2)CC1.
What is the InChIKey of 1-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-methylpiperidine-4-carboxamide?
The InChIKey is NLUFNKWUTQATIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O3/c1-19(17(22)24)6-10-23(11-7-19)18(25)20(8-12-26-13-9-20)14-15-4-2-3-5-16(15)21/h2-5H,6-14H2,1H3,(H2,22,24).
What are the key properties of 1-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-methylpiperidine-4-carboxamide?
1-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-methylpiperidine-4-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 110090804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).