N-methyl-N-(oxan-3-ylmethyl)-2-piperazin-1-ylacetamide

C13H25N3O2 — CID 55227020

IUPACN-methyl-N-(oxan-3-ylmethyl)-2-piperazin-1-ylacetamide
SMILESCN(CC1CCCOC1)C(=O)CN1CCNCC1
InChIInChI=1S/C13H25N3O2/c1-15(9-12-3-2-8-18-11-12)13(17)10-16-6-4-14-5-7-16/h12,14H,2-11H2,1H3
InChIKeyWCYCHGHNSOUBBO-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.22
Rot. Bonds4

About N-methyl-N-(oxan-3-ylmethyl)-2-piperazin-1-ylacetamide

N-methyl-N-(oxan-3-ylmethyl)-2-piperazin-1-ylacetamide (PubChem CID 55227020) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-methyl-N-(oxan-3-ylmethyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-3-ylmethyl)-2-piperazin-1-ylacetamide
PubChem CID55227020
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-methyl-N-(oxan-3-ylmethyl)-2-piperazin-1-ylacetamide
SMILESCN(CC1CCCOC1)C(=O)CN1CCNCC1
InChIInChI=1S/C13H25N3O2/c1-15(9-12-3-2-8-18-11-12)13(17)10-16-6-4-14-5-7-16/h12,14H,2-11H2,1H3
InChIKeyWCYCHGHNSOUBBO-UHFFFAOYSA-N
XLogP-0.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide
CID 62839573
N-methyl-N-(oxan-3-ylmethyl)-2-piperidin-4-yloxyacetamide
CID 63876941
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
N-(2-cyclohexylethyl)-N-methyl-2-piperazin-1-ylacetamide
CID 115171715
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-ylmethyl)acetamide
CID 63706765
3-amino-N,3-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 64677670
N-methyl-N-(oxan-3-ylmethyl)piperidine-3-carboxamide
CID 55227214
2-(cyclopentylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide
CID 63712361
2-(tert-butylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide
CID 78949570
ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate
CID 63717734
4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 75370788

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-3-ylmethyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-methyl-N-(oxan-3-ylmethyl)-2-piperazin-1-ylacetamide (CID 55227020) is N-methyl-N-(oxan-3-ylmethyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-methyl-N-(oxan-3-ylmethyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-methyl-N-(oxan-3-ylmethyl)-2-piperazin-1-ylacetamide is CN(CC1CCCOC1)C(=O)CN1CCNCC1.
What is the InChIKey of N-methyl-N-(oxan-3-ylmethyl)-2-piperazin-1-ylacetamide?
The InChIKey is WCYCHGHNSOUBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-15(9-12-3-2-8-18-11-12)13(17)10-16-6-4-14-5-7-16/h12,14H,2-11H2,1H3.
What are the key properties of N-methyl-N-(oxan-3-ylmethyl)-2-piperazin-1-ylacetamide?
N-methyl-N-(oxan-3-ylmethyl)-2-piperazin-1-ylacetamide has a molecular weight of 255.36 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-3-ylmethyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 55227020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).