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

C22H28N4O3 — CID 113016001

IUPACN-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide
SMILESCOc1ccc(N2CCN(c3ccc(NC(=O)C4CCOCC4)cn3)CC2)cc1
InChIInChI=1S/C22H28N4O3/c1-28-20-5-3-19(4-6-20)25-10-12-26(13-11-25)21-7-2-18(16-23-21)24-22(27)17-8-14-29-15-9-17/h2-7,16-17H,8-15H2,1H3,(H,24,27)
InChIKeyDMXBYKNWMWEUQG-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.78
Rot. Bonds5

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

N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide (PubChem CID 113016001) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide
PubChem CID113016001
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide
SMILESCOc1ccc(N2CCN(c3ccc(NC(=O)C4CCOCC4)cn3)CC2)cc1
InChIInChI=1S/C22H28N4O3/c1-28-20-5-3-19(4-6-20)25-10-12-26(13-11-25)21-7-2-18(16-23-21)24-22(27)17-8-14-29-15-9-17/h2-7,16-17H,8-15H2,1H3,(H,24,27)
InChIKeyDMXBYKNWMWEUQG-UHFFFAOYSA-N
XLogP2.78
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936
N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]oxane-4-carboxamide
CID 113045448
N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide
CID 113014312
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]oxane-4-carboxamide
CID 113015664
N-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate
CID 19032426
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113020060
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
1-(4-methoxyphenyl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 24601879
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-4-(4-methoxyphenyl)piperazine
CID 113016007
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide
CID 122299154
5-fluoro-N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-1H-imidazole-4-carboxamide
CID 147102634

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide?
The IUPAC name of N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide (CID 113016001) is N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide is COc1ccc(N2CCN(c3ccc(NC(=O)C4CCOCC4)cn3)CC2)cc1.
What is the InChIKey of N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide?
The InChIKey is DMXBYKNWMWEUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-28-20-5-3-19(4-6-20)25-10-12-26(13-11-25)21-7-2-18(16-23-21)24-22(27)17-8-14-29-15-9-17/h2-7,16-17H,8-15H2,1H3,(H,24,27).
What are the key properties of N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide?
N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 113016001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).