2-(1-methylpiperazin-2-yl)-N-[2-(oxan-4-yl)ethyl]acetamide

C14H27N3O2 — CID 115178445

IUPAC2-(1-methylpiperazin-2-yl)-N-[2-(oxan-4-yl)ethyl]acetamide
SMILESCN1CCNCC1CC(=O)NCCC1CCOCC1
InChIInChI=1S/C14H27N3O2/c1-17-7-6-15-11-13(17)10-14(18)16-5-2-12-3-8-19-9-4-12/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyJHJJKCXIDRWNLI-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.21
Rot. Bonds5

About 2-(1-methylpiperazin-2-yl)-N-[2-(oxan-4-yl)ethyl]acetamide

2-(1-methylpiperazin-2-yl)-N-[2-(oxan-4-yl)ethyl]acetamide (PubChem CID 115178445) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(1-methylpiperazin-2-yl)-N-[2-(oxan-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-methylpiperazin-2-yl)-N-[2-(oxan-4-yl)ethyl]acetamide
PubChem CID115178445
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-(1-methylpiperazin-2-yl)-N-[2-(oxan-4-yl)ethyl]acetamide
SMILESCN1CCNCC1CC(=O)NCCC1CCOCC1
InChIInChI=1S/C14H27N3O2/c1-17-7-6-15-11-13(17)10-14(18)16-5-2-12-3-8-19-9-4-12/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyJHJJKCXIDRWNLI-UHFFFAOYSA-N
XLogP0.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpiperazin-2-yl)methyl]-1-(oxan-4-yl)methanamine
CID 115238395
N-(cyclopentylmethyl)-2-(1-methylpiperazin-2-yl)acetamide
CID 115178411
2-(4-methylpiperazin-2-yl)-N-[2-(oxan-4-yl)ethyl]acetamide
CID 115178337
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-morpholin-2-ylacetamide;dihydrochloride
CID 119865927
2-(2-methoxyethylamino)-N-[2-(oxan-4-yl)ethyl]acetamide
CID 119724840
2-(methylamino)-N-[2-(oxan-4-yl)ethyl]acetamide
CID 115152043
2-(1-methylpiperazin-2-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 115178439
N-(2-cyclopropylethyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119790422
1-cyclobutyl-2-(1-methylpiperazin-2-yl)ethanone
CID 116920123
3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one
CID 116920060
2-(oxan-4-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271886
N-[2-(oxan-4-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158324

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperazin-2-yl)-N-[2-(oxan-4-yl)ethyl]acetamide?
The IUPAC name of 2-(1-methylpiperazin-2-yl)-N-[2-(oxan-4-yl)ethyl]acetamide (CID 115178445) is 2-(1-methylpiperazin-2-yl)-N-[2-(oxan-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-methylpiperazin-2-yl)-N-[2-(oxan-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-methylpiperazin-2-yl)-N-[2-(oxan-4-yl)ethyl]acetamide is CN1CCNCC1CC(=O)NCCC1CCOCC1.
What is the InChIKey of 2-(1-methylpiperazin-2-yl)-N-[2-(oxan-4-yl)ethyl]acetamide?
The InChIKey is JHJJKCXIDRWNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-17-7-6-15-11-13(17)10-14(18)16-5-2-12-3-8-19-9-4-12/h12-13,15H,2-11H2,1H3,(H,16,18).
What are the key properties of 2-(1-methylpiperazin-2-yl)-N-[2-(oxan-4-yl)ethyl]acetamide?
2-(1-methylpiperazin-2-yl)-N-[2-(oxan-4-yl)ethyl]acetamide has a molecular weight of 269.39 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperazin-2-yl)-N-[2-(oxan-4-yl)ethyl]acetamide is sourced from PubChem (CID 115178445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).