N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxamide

C24H29FN4O3 — CID 126472459

IUPACN-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(C(=O)N2CCOCC2)CC1)C(c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C24H29FN4O3/c1-27(22(21-4-2-3-11-26-21)18-5-7-20(25)8-6-18)23(30)19-9-12-28(13-10-19)24(31)29-14-16-32-17-15-29/h2-8,11,19,22H,9-10,12-17H2,1H3
InChIKeyGXHLQOSUCGAAMJ-UHFFFAOYSA-N
MW440.52 g/mol
LogP2.93
Rot. Bonds4

About N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxamide

N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxamide (PubChem CID 126472459) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxamide
PubChem CID126472459
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC NameN-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(C(=O)N2CCOCC2)CC1)C(c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C24H29FN4O3/c1-27(22(21-4-2-3-11-26-21)18-5-7-20(25)8-6-18)23(30)19-9-12-28(13-10-19)24(31)29-14-16-32-17-15-29/h2-8,11,19,22H,9-10,12-17H2,1H3
InChIKeyGXHLQOSUCGAAMJ-UHFFFAOYSA-N
XLogP2.93
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxamide (CID 126472459) is N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxamide is CN(C(=O)C1CCN(C(=O)N2CCOCC2)CC1)C(c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is GXHLQOSUCGAAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/c1-27(22(21-4-2-3-11-26-21)18-5-7-20(25)8-6-18)23(30)19-9-12-28(13-10-19)24(31)29-14-16-32-17-15-29/h2-8,11,19,22H,9-10,12-17H2,1H3.
What are the key properties of N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxamide?
N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 126472459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).