2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-phenoxyethyl)pyridine-4-carboxamide

C23H30N4O3 — CID 117084087

IUPAC2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-phenoxyethyl)pyridine-4-carboxamide
SMILESO=C(NCCOc1ccccc1)c1ccnc(N2CCC(N3CCOCC3)CC2)c1
InChIInChI=1S/C23H30N4O3/c28-23(25-10-15-30-21-4-2-1-3-5-21)19-6-9-24-22(18-19)27-11-7-20(8-12-27)26-13-16-29-17-14-26/h1-6,9,18,20H,7-8,10-17H2,(H,25,28)
InChIKeyNDXOFAHHGMBERZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.19
Rot. Bonds7

About 2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-phenoxyethyl)pyridine-4-carboxamide

2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-phenoxyethyl)pyridine-4-carboxamide (PubChem CID 117084087) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-phenoxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-phenoxyethyl)pyridine-4-carboxamide
PubChem CID117084087
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-phenoxyethyl)pyridine-4-carboxamide
SMILESO=C(NCCOc1ccccc1)c1ccnc(N2CCC(N3CCOCC3)CC2)c1
InChIInChI=1S/C23H30N4O3/c28-23(25-10-15-30-21-4-2-1-3-5-21)19-6-9-24-22(18-19)27-11-7-20(8-12-27)26-13-16-29-17-14-26/h1-6,9,18,20H,7-8,10-17H2,(H,25,28)
InChIKeyNDXOFAHHGMBERZ-UHFFFAOYSA-N
XLogP2.19
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)pyridine-4-carboxamide
CID 117089399
N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyridine-4-carboxamide
CID 117083309
3-morpholin-4-yl-N-(2-phenoxyethyl)benzamide
CID 117088247
3-(4-fluorophenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyridin-3-yloxyethyl)quinoxaline-6-carboxamide
CID 118463676
5-chloro-6-[4-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 11721363
2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166760
5-chloro-N-(2-phenoxyethyl)-6-[4-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide
CID 59427442
2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 117086090
5-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 117093443
N-(2-hydroxypropyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 84574824
2-cyclohexyl-1,3-dioxo-N-(2-phenoxyethyl)isoindole-5-carboxamide
CID 27758114
N'-methyl-3-morpholin-4-yl-N-(2-phenoxyethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111727060

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-phenoxyethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-phenoxyethyl)pyridine-4-carboxamide (CID 117084087) is 2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-phenoxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-phenoxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-phenoxyethyl)pyridine-4-carboxamide is O=C(NCCOc1ccccc1)c1ccnc(N2CCC(N3CCOCC3)CC2)c1.
What is the InChIKey of 2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-phenoxyethyl)pyridine-4-carboxamide?
The InChIKey is NDXOFAHHGMBERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c28-23(25-10-15-30-21-4-2-1-3-5-21)19-6-9-24-22(18-19)27-11-7-20(8-12-27)26-13-16-29-17-14-26/h1-6,9,18,20H,7-8,10-17H2,(H,25,28).
What are the key properties of 2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-phenoxyethyl)pyridine-4-carboxamide?
2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-phenoxyethyl)pyridine-4-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-phenoxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 117084087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).