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

C14H27N3O2 — CID 70289364

IUPACN-[2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(CC2CCOCC2)CC1
InChIInChI=1S/C14H27N3O2/c1-13(18)15-4-5-16-6-8-17(9-7-16)12-14-2-10-19-11-3-14/h14H,2-12H2,1H3,(H,15,18)
InChIKeyZWANOCNTGVMYFK-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.17
Rot. Bonds5

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

N-[2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 70289364) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethyl]acetamide
PubChem CID70289364
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(CC2CCOCC2)CC1
InChIInChI=1S/C14H27N3O2/c1-13(18)15-4-5-16-6-8-17(9-7-16)12-14-2-10-19-11-3-14/h14H,2-12H2,1H3,(H,15,18)
InChIKeyZWANOCNTGVMYFK-UHFFFAOYSA-N
XLogP0.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanamine
CID 62385284
4-(oxan-4-ylmethyl)morpholine
CID 122244931
2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386351
N-[2-[4-(2,3,4,5-tetrahydropyridin-5-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 70285545
[1-(2-acetamidoethyl)piperidin-4-yl] acetate
CID 58811218
1-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 67032986
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]acetamide
CID 62062527
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]oxane-4-carboxamide
CID 112991537
4-tert-butyl-1-(oxan-4-ylmethyl)piperidine
CID 59743823
N-[2-[4-(3,4-dihydropyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 70287461
2-methyl-3-(methylamino)-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119886551
2-[4-(2-acetamidoethyl)-1,4-diazepan-1-yl]acetic acid
CID 62823632

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethyl]acetamide (CID 70289364) is N-[2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(CC2CCOCC2)CC1.
What is the InChIKey of N-[2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is ZWANOCNTGVMYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-13(18)15-4-5-16-6-8-17(9-7-16)12-14-2-10-19-11-3-14/h14H,2-12H2,1H3,(H,15,18).
What are the key properties of N-[2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethyl]acetamide?
N-[2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 269.39 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 70289364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).