N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide

C22H28N4O2 — CID 113014312

IUPACN-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide
SMILESCc1cccc(N2CCN(c3ccc(NC(=O)C4CCOCC4)cn3)CC2)c1
InChIInChI=1S/C22H28N4O2/c1-17-3-2-4-20(15-17)25-9-11-26(12-10-25)21-6-5-19(16-23-21)24-22(27)18-7-13-28-14-8-18/h2-6,15-16,18H,7-14H2,1H3,(H,24,27)
InChIKeyKHIFLCQMFGTVJV-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.08
Rot. Bonds4

About N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide

N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide (PubChem CID 113014312) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide
PubChem CID113014312
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide
SMILESCc1cccc(N2CCN(c3ccc(NC(=O)C4CCOCC4)cn3)CC2)c1
InChIInChI=1S/C22H28N4O2/c1-17-3-2-4-20(15-17)25-9-11-26(12-10-25)21-6-5-19(16-23-21)24-22(27)18-7-13-28-14-8-18/h2-6,15-16,18H,7-14H2,1H3,(H,24,27)
InChIKeyKHIFLCQMFGTVJV-UHFFFAOYSA-N
XLogP3.08
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide
CID 113016001
N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936
3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014298
2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide
CID 39181745
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]oxane-4-carboxamide
CID 113015664
N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]cyclohexanecarboxamide
CID 113043644
N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109152244
1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 16588037
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113017207
N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide
CID 113014317

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide?
The IUPAC name of N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide (CID 113014312) is N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide is Cc1cccc(N2CCN(c3ccc(NC(=O)C4CCOCC4)cn3)CC2)c1.
What is the InChIKey of N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide?
The InChIKey is KHIFLCQMFGTVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-17-3-2-4-20(15-17)25-9-11-26(12-10-25)21-6-5-19(16-23-21)24-22(27)18-7-13-28-14-8-18/h2-6,15-16,18H,7-14H2,1H3,(H,24,27).
What are the key properties of N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide?
N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 113014312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).