1-[4-(3-fluorophenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide

C24H28FN3O3 — CID 110148571

IUPAC1-[4-(3-fluorophenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCNC(=O)C1(c2ccccn2)CCCN(C(=O)C2(c3cccc(F)c3)CCOCC2)C1
InChIInChI=1S/C24H28FN3O3/c1-26-21(29)24(20-8-2-3-12-27-20)9-5-13-28(17-24)22(30)23(10-14-31-15-11-23)18-6-4-7-19(25)16-18/h2-4,6-8,12,16H,5,9-11,13-15,17H2,1H3,(H,26,29)
InChIKeyCALLCKGJNAWZNN-UHFFFAOYSA-N
MW425.50 g/mol
LogP2.58
Rot. Bonds4

About 1-[4-(3-fluorophenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide

1-[4-(3-fluorophenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 110148571) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 1-[4-(3-fluorophenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(3-fluorophenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID110148571
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name1-[4-(3-fluorophenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCNC(=O)C1(c2ccccn2)CCCN(C(=O)C2(c3cccc(F)c3)CCOCC2)C1
InChIInChI=1S/C24H28FN3O3/c1-26-21(29)24(20-8-2-3-12-27-20)9-5-13-28(17-24)22(30)23(10-14-31-15-11-23)18-6-4-7-19(25)16-18/h2-4,6-8,12,16H,5,9-11,13-15,17H2,1H3,(H,26,29)
InChIKeyCALLCKGJNAWZNN-UHFFFAOYSA-N
XLogP2.58
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124950671
(3R)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124966660
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
2,7-diazaspiro[4.5]decan-7-yl-[4-(3-fluorophenyl)oxan-4-yl]methanone
CID 126815571
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3-fluorophenyl)oxan-4-yl]methanone;hydrochloride
CID 120818399
(3R)-1-(1-benzoyl-4-methylpiperidine-4-carbonyl)-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124999862
[4-(3-fluorophenyl)oxan-4-yl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97077235
[4-(3-fluorophenyl)oxan-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396200
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-[4-(3-fluorophenyl)oxan-4-yl]methanone
CID 71976708
[4-(3-fluorophenyl)oxan-4-yl]-[(4R)-4-(quinolin-8-ylmethyl)azepan-1-yl]methanone
CID 125004099
4-(3-fluorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide
CID 86969014
[1-(3-fluorophenyl)cyclopentyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487413

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorophenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-(3-fluorophenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide (CID 110148571) is 1-[4-(3-fluorophenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(3-fluorophenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-(3-fluorophenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide is CNC(=O)C1(c2ccccn2)CCCN(C(=O)C2(c3cccc(F)c3)CCOCC2)C1.
What is the InChIKey of 1-[4-(3-fluorophenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is CALLCKGJNAWZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-26-21(29)24(20-8-2-3-12-27-20)9-5-13-28(17-24)22(30)23(10-14-31-15-11-23)18-6-4-7-19(25)16-18/h2-4,6-8,12,16H,5,9-11,13-15,17H2,1H3,(H,26,29).
What are the key properties of 1-[4-(3-fluorophenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
1-[4-(3-fluorophenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorophenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 110148571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).