N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-carboxamide

C13H25N3O2 — CID 86768181

IUPACN,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C13H25N3O2/c1-14(2)13(17)16-8-6-15(7-9-16)11-12-5-3-4-10-18-12/h12H,3-11H2,1-2H3
InChIKeyYDDBSQMNMVUSFK-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.85
Rot. Bonds2

About N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-carboxamide

N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 86768181) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID86768181
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C13H25N3O2/c1-14(2)13(17)16-8-6-15(7-9-16)11-12-5-3-4-10-18-12/h12H,3-11H2,1-2H3
InChIKeyYDDBSQMNMVUSFK-UHFFFAOYSA-N
XLogP0.85
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methoxyethyl)-4-(oxan-2-ylmethyl)piperazine
CID 53530223
N-cyclohexyl-N,2-dimethylmorpholine-4-carboxamide
CID 15136649
(2-Methylmorpholin-4-yl)-piperidin-1-ylmethanone
CID 15136650
1-Hexyl-1,3-dimethyl-3-(2-morpholin-4-ylethyl)urea
CID 20303046
N-(oxan-2-ylmethyl)piperidine-1-carboxamide
CID 67299509
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-piperidin-1-ylmethanone
CID 103931873
4-(Oxan-2-ylmethyl)piperazine-1-carboxylic acid
CID 142782094
(2,6-Dimethylmorpholin-4-yl)-piperidin-1-ylmethanone
CID 15136652
[4-(2-Methoxyethyl)piperazin-1-yl]-piperidin-1-ylmethanone
CID 51075354
2-(Diethylamino)-1-[4-(oxan-2-ylmethyl)piperazin-1-yl]ethanone
CID 53581742
1-(2-Ethoxyethyl)-4-(oxan-2-ylmethyl)piperazine
CID 53591854
1-Ethyl-3-[1-(oxan-2-ylmethyl)piperidin-4-yl]imidazolidin-2-one
CID 53606038

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-carboxamide (CID 86768181) is N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-carboxamide is CN(C)C(=O)N1CCN(CC2CCCCO2)CC1.
What is the InChIKey of N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is YDDBSQMNMVUSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-14(2)13(17)16-8-6-15(7-9-16)11-12-5-3-4-10-18-12/h12H,3-11H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-carboxamide?
N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 86768181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).