N-(piperidin-4-ylmethyl)-N-propan-2-yloxane-3-carboxamide

C15H28N2O2 — CID 79720856

IUPACN-(piperidin-4-ylmethyl)-N-propan-2-yloxane-3-carboxamide
SMILESCC(C)N(CC1CCNCC1)C(=O)C1CCCOC1
InChIInChI=1S/C15H28N2O2/c1-12(2)17(10-13-5-7-16-8-6-13)15(18)14-4-3-9-19-11-14/h12-14,16H,3-11H2,1-2H3
InChIKeyJQDLMPIKQWGQMJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.65
Rot. Bonds4

About N-(piperidin-4-ylmethyl)-N-propan-2-yloxane-3-carboxamide

N-(piperidin-4-ylmethyl)-N-propan-2-yloxane-3-carboxamide (PubChem CID 79720856) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-propan-2-yloxane-3-carboxamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-propan-2-yloxane-3-carboxamide
PubChem CID79720856
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-(piperidin-4-ylmethyl)-N-propan-2-yloxane-3-carboxamide
SMILESCC(C)N(CC1CCNCC1)C(=O)C1CCCOC1
InChIInChI=1S/C15H28N2O2/c1-12(2)17(10-13-5-7-16-8-6-13)15(18)14-4-3-9-19-11-14/h12-14,16H,3-11H2,1-2H3
InChIKeyJQDLMPIKQWGQMJ-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclohexanecarboxamide
CID 79721373
N-(oxan-3-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79716147
N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide
CID 63014533
N-benzyl-N-propan-2-yloxane-3-carboxamide
CID 110855554
4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpentanamide
CID 79720418
N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclobutanecarboxamide
CID 106629002
2-[butan-2-yl(oxane-3-carbonyl)amino]acetic acid
CID 55110283
N-[(4-aminophenyl)methyl]-N-propan-2-yloxane-3-carboxamide
CID 63010976
N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide
CID 109388602
3-[cyclopropylmethyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784008
ethyl N-(piperidin-4-ylmethyl)-N-propan-2-ylcarbamate
CID 79721032
N-(2-aminoethyl)-N-propan-2-yloxolane-3-carboxamide
CID 61350101

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-propan-2-yloxane-3-carboxamide?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-propan-2-yloxane-3-carboxamide (CID 79720856) is N-(piperidin-4-ylmethyl)-N-propan-2-yloxane-3-carboxamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-propan-2-yloxane-3-carboxamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-propan-2-yloxane-3-carboxamide is CC(C)N(CC1CCNCC1)C(=O)C1CCCOC1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-propan-2-yloxane-3-carboxamide?
The InChIKey is JQDLMPIKQWGQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)17(10-13-5-7-16-8-6-13)15(18)14-4-3-9-19-11-14/h12-14,16H,3-11H2,1-2H3.
What are the key properties of N-(piperidin-4-ylmethyl)-N-propan-2-yloxane-3-carboxamide?
N-(piperidin-4-ylmethyl)-N-propan-2-yloxane-3-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-N-propan-2-yloxane-3-carboxamide is sourced from PubChem (CID 79720856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).