2-(3-fluorophenyl)-1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]piperidine-3-carboxamide

C24H34FN3O3 — CID 91957657

IUPAC2-(3-fluorophenyl)-1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]piperidine-3-carboxamide
SMILESCN1C(=O)CCC(C(=O)NCC2(CN3CCCC3)CCOCC2)C1c1cccc(F)c1
InChIInChI=1S/C24H34FN3O3/c1-27-21(29)8-7-20(22(27)18-5-4-6-19(25)15-18)23(30)26-16-24(9-13-31-14-10-24)17-28-11-2-3-12-28/h4-6,15,20,22H,2-3,7-14,16-17H2,1H3,(H,26,30)
InChIKeyXHLHKOKTMFYBRN-UHFFFAOYSA-N
MW431.55 g/mol
LogP2.74
Rot. Bonds6

About 2-(3-fluorophenyl)-1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]piperidine-3-carboxamide

2-(3-fluorophenyl)-1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]piperidine-3-carboxamide (PubChem CID 91957657) has the molecular formula C24H34FN3O3 and a molecular weight of 431.55 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]piperidine-3-carboxamide
PubChem CID91957657
Molecular FormulaC24H34FN3O3
Molecular Weight431.55 g/mol
Exact Mass431.26
IUPAC Name2-(3-fluorophenyl)-1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]piperidine-3-carboxamide
SMILESCN1C(=O)CCC(C(=O)NCC2(CN3CCCC3)CCOCC2)C1c1cccc(F)c1
InChIInChI=1S/C24H34FN3O3/c1-27-21(29)8-7-20(22(27)18-5-4-6-19(25)15-18)23(30)26-16-24(9-13-31-14-10-24)17-28-11-2-3-12-28/h4-6,15,20,22H,2-3,7-14,16-17H2,1H3,(H,26,30)
InChIKeyXHLHKOKTMFYBRN-UHFFFAOYSA-N
XLogP2.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.55
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluorophenyl)-1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

4-methyl-5-oxo-3-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]morpholine-2-carboxamide
CID 91957637
(2R,3S)-2-(3-fluorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 95740179
(5S,6S)-6-(3-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 95740162
(5S,6R)-6-(3-fluorophenyl)-1-methyl-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95740187
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 91957469
(5R,6R)-5-(4-ethylpiperazine-1-carbonyl)-6-(3-fluorophenyl)-1-methylpiperidin-2-one
CID 95740139
2-(3-fluorophenyl)-1-methyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide
CID 71689521
(4R,5R)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740527
(4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740528
2-(3-fluorophenyl)-1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
CID 71689537
(2S,3S)-N-butyl-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95740531
(5R,6S)-5-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-(3-fluorophenyl)-1-methylpiperidin-2-one
CID 95740114

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]piperidine-3-carboxamide (CID 91957657) is 2-(3-fluorophenyl)-1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]piperidine-3-carboxamide is CN1C(=O)CCC(C(=O)NCC2(CN3CCCC3)CCOCC2)C1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]piperidine-3-carboxamide?
The InChIKey is XHLHKOKTMFYBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O3/c1-27-21(29)8-7-20(22(27)18-5-4-6-19(25)15-18)23(30)26-16-24(9-13-31-14-10-24)17-28-11-2-3-12-28/h4-6,15,20,22H,2-3,7-14,16-17H2,1H3,(H,26,30).
What are the key properties of 2-(3-fluorophenyl)-1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]piperidine-3-carboxamide?
2-(3-fluorophenyl)-1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]piperidine-3-carboxamide has a molecular weight of 431.55 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-methyl-6-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 91957657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).