N-methyl-4-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide

C21H32N2O2 — CID 46981529

IUPACN-methyl-4-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide
SMILESCc1ccc(C2(C(=O)N(C)CCN3CCCCC3)CCOCC2)cc1
InChIInChI=1S/C21H32N2O2/c1-18-6-8-19(9-7-18)21(10-16-25-17-11-21)20(24)22(2)14-15-23-12-4-3-5-13-23/h6-9H,3-5,10-17H2,1-2H3
InChIKeyDEXSWKFQLNLOFJ-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.99
Rot. Bonds5

About N-methyl-4-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide

N-methyl-4-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide (PubChem CID 46981529) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-methyl-4-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide
PubChem CID46981529
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-methyl-4-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide
SMILESCc1ccc(C2(C(=O)N(C)CCN3CCCCC3)CCOCC2)cc1
InChIInChI=1S/C21H32N2O2/c1-18-6-8-19(9-7-18)21(10-16-25-17-11-21)20(24)22(2)14-15-23-12-4-3-5-13-23/h6-9H,3-5,10-17H2,1-2H3
InChIKeyDEXSWKFQLNLOFJ-UHFFFAOYSA-N
XLogP2.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide?
The IUPAC name of N-methyl-4-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide (CID 46981529) is N-methyl-4-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide.
What is the SMILES notation for N-methyl-4-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide?
The canonical SMILES for N-methyl-4-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide is Cc1ccc(C2(C(=O)N(C)CCN3CCCCC3)CCOCC2)cc1.
What is the InChIKey of N-methyl-4-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide?
The InChIKey is DEXSWKFQLNLOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-18-6-8-19(9-7-18)21(10-16-25-17-11-21)20(24)22(2)14-15-23-12-4-3-5-13-23/h6-9H,3-5,10-17H2,1-2H3.
What are the key properties of N-methyl-4-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide?
N-methyl-4-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide is sourced from PubChem (CID 46981529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).