N-[[4-(4-butan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylpropanamide

C22H36N4O2 — CID 126509121

IUPACN-[[4-(4-butan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(CC1(N2CCN(C(C)CC)CC2)CCOCC1)c1ccccn1
InChIInChI=1S/C22H36N4O2/c1-4-19(3)24-12-14-25(15-13-24)22(9-16-28-17-10-22)18-26(21(27)5-2)20-8-6-7-11-23-20/h6-8,11,19H,4-5,9-10,12-18H2,1-3H3
InChIKeyATULWTIBFBUBIH-UHFFFAOYSA-N
MW388.56 g/mol
LogP2.79
Rot. Bonds7

About N-[[4-(4-butan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylpropanamide

N-[[4-(4-butan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylpropanamide (PubChem CID 126509121) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-[[4-(4-butan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[[4-(4-butan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylpropanamide
PubChem CID126509121
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC NameN-[[4-(4-butan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(CC1(N2CCN(C(C)CC)CC2)CCOCC1)c1ccccn1
InChIInChI=1S/C22H36N4O2/c1-4-19(3)24-12-14-25(15-13-24)22(9-16-28-17-10-22)18-26(21(27)5-2)20-8-6-7-11-23-20/h6-8,11,19H,4-5,9-10,12-18H2,1-3H3
InChIKeyATULWTIBFBUBIH-UHFFFAOYSA-N
XLogP2.79
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[4-(4-butan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylpropanamide with MolForge

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Related Compounds

N-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide
CID 139471542
N-(2-piperidin-1-ylpropyl)-N-pyridin-2-ylpropanamide
CID 3041469
N-(3-cyano-2-pyridinyl)-N-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide
CID 126509162
N-[[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 161013731
N-(6-methyl-2-pyridinyl)-N-[[4-[4-(2-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide
CID 157152523
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 139462043
N-[[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]oxan-4-yl]methyl]-N-phenylpropanamide
CID 126539476
N-[[4-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 126539767
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-(5-fluoro-3-pyridinyl)propanamide
CID 126508959
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 137371452
N-[[4-[4-(2-hydroxy-1-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-2-pyridin-2-ylpropanamide
CID 126509838
N-[[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide
CID 126507028

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-butan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylpropanamide?
The IUPAC name of N-[[4-(4-butan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylpropanamide (CID 126509121) is N-[[4-(4-butan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[[4-(4-butan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for N-[[4-(4-butan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylpropanamide is CCC(=O)N(CC1(N2CCN(C(C)CC)CC2)CCOCC1)c1ccccn1.
What is the InChIKey of N-[[4-(4-butan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylpropanamide?
The InChIKey is ATULWTIBFBUBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-4-19(3)24-12-14-25(15-13-24)22(9-16-28-17-10-22)18-26(21(27)5-2)20-8-6-7-11-23-20/h6-8,11,19H,4-5,9-10,12-18H2,1-3H3.
What are the key properties of N-[[4-(4-butan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylpropanamide?
N-[[4-(4-butan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylpropanamide has a molecular weight of 388.56 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-butan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 126509121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).