N-[[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]-N-(6-methyl-2-pyridinyl)propanamide

C23H38N4O3 — CID 161013731

IUPACN-[[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCCC(=O)N(CC1(N2CCN(CC(C)(C)O)CC2)CCOCC1)c1cccc(C)n1
InChIInChI=1S/C23H38N4O3/c1-5-21(28)27(20-8-6-7-19(2)24-20)18-23(9-15-30-16-10-23)26-13-11-25(12-14-26)17-22(3,4)29/h6-8,29H,5,9-18H2,1-4H3
InChIKeyTXLKGVLMPRLWOY-UHFFFAOYSA-N
MW418.58 g/mol
LogP2.07
Rot. Bonds7

About N-[[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]-N-(6-methyl-2-pyridinyl)propanamide

N-[[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 161013731) has the molecular formula C23H38N4O3 and a molecular weight of 418.58 g/mol. Its IUPAC name is N-[[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID161013731
Molecular FormulaC23H38N4O3
Molecular Weight418.58 g/mol
Exact Mass418.29
IUPAC NameN-[[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCCC(=O)N(CC1(N2CCN(CC(C)(C)O)CC2)CCOCC1)c1cccc(C)n1
InChIInChI=1S/C23H38N4O3/c1-5-21(28)27(20-8-6-7-19(2)24-20)18-23(9-15-30-16-10-23)26-13-11-25(12-14-26)17-22(3,4)29/h6-8,29H,5,9-18H2,1-4H3
InChIKeyTXLKGVLMPRLWOY-UHFFFAOYSA-N
XLogP2.07
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of N-[[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]-N-(6-methyl-2-pyridinyl)propanamide (CID 161013731) is N-[[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for N-[[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for N-[[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]-N-(6-methyl-2-pyridinyl)propanamide is CCC(=O)N(CC1(N2CCN(CC(C)(C)O)CC2)CCOCC1)c1cccc(C)n1.
What is the InChIKey of N-[[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is TXLKGVLMPRLWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O3/c1-5-21(28)27(20-8-6-7-19(2)24-20)18-23(9-15-30-16-10-23)26-13-11-25(12-14-26)17-22(3,4)29/h6-8,29H,5,9-18H2,1-4H3.
What are the key properties of N-[[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]-N-(6-methyl-2-pyridinyl)propanamide?
N-[[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 418.58 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]-N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 161013731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).