1-(2-methyl-1,4-oxazepan-4-yl)-2-piperidin-2-ylethanone

C13H24N2O2 — CID 62972970

IUPAC1-(2-methyl-1,4-oxazepan-4-yl)-2-piperidin-2-ylethanone
SMILESCC1CN(C(=O)CC2CCCCN2)CCCO1
InChIInChI=1S/C13H24N2O2/c1-11-10-15(7-4-8-17-11)13(16)9-12-5-2-3-6-14-12/h11-12,14H,2-10H2,1H3
InChIKeyDQMREOFRDNQPMI-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds2

About 1-(2-methyl-1,4-oxazepan-4-yl)-2-piperidin-2-ylethanone

1-(2-methyl-1,4-oxazepan-4-yl)-2-piperidin-2-ylethanone (PubChem CID 62972970) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2-methyl-1,4-oxazepan-4-yl)-2-piperidin-2-ylethanone.

Molecular Properties

Compound Name1-(2-methyl-1,4-oxazepan-4-yl)-2-piperidin-2-ylethanone
PubChem CID62972970
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(2-methyl-1,4-oxazepan-4-yl)-2-piperidin-2-ylethanone
SMILESCC1CN(C(=O)CC2CCCCN2)CCCO1
InChIInChI=1S/C13H24N2O2/c1-11-10-15(7-4-8-17-11)13(16)9-12-5-2-3-6-14-12/h11-12,14H,2-10H2,1H3
InChIKeyDQMREOFRDNQPMI-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1,4-oxazepan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119771971
1-(2-methylmorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119698735
1-(3-methylpyrrolidin-1-yl)-2-piperidin-2-ylethanone
CID 61226626
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone
CID 104958689
1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119861929
2-(azetidin-3-yl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 64609795
2-piperidin-2-yl-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 113417562
1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119771962
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
1-(2,2-dimethylmorpholin-4-yl)-2-piperidin-2-ylethanone
CID 43592977
1-(2-methylmorpholin-4-yl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanone
CID 106614579

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,4-oxazepan-4-yl)-2-piperidin-2-ylethanone?
The IUPAC name of 1-(2-methyl-1,4-oxazepan-4-yl)-2-piperidin-2-ylethanone (CID 62972970) is 1-(2-methyl-1,4-oxazepan-4-yl)-2-piperidin-2-ylethanone.
What is the SMILES notation for 1-(2-methyl-1,4-oxazepan-4-yl)-2-piperidin-2-ylethanone?
The canonical SMILES for 1-(2-methyl-1,4-oxazepan-4-yl)-2-piperidin-2-ylethanone is CC1CN(C(=O)CC2CCCCN2)CCCO1.
What is the InChIKey of 1-(2-methyl-1,4-oxazepan-4-yl)-2-piperidin-2-ylethanone?
The InChIKey is DQMREOFRDNQPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11-10-15(7-4-8-17-11)13(16)9-12-5-2-3-6-14-12/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-(2-methyl-1,4-oxazepan-4-yl)-2-piperidin-2-ylethanone?
1-(2-methyl-1,4-oxazepan-4-yl)-2-piperidin-2-ylethanone has a molecular weight of 240.35 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,4-oxazepan-4-yl)-2-piperidin-2-ylethanone is sourced from PubChem (CID 62972970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).