1-[3-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-3-oxopropyl]pyrrolidin-2-one

C15H27N3O3 — CID 131943275

IUPAC1-[3-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESCN(C)CC1COCCN(C(=O)CCN2CCCC2=O)C1
InChIInChI=1S/C15H27N3O3/c1-16(2)10-13-11-18(8-9-21-12-13)15(20)5-7-17-6-3-4-14(17)19/h13H,3-12H2,1-2H3
InChIKeyDFZNFMBJHVPAQV-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.04
Rot. Bonds5

About 1-[3-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-3-oxopropyl]pyrrolidin-2-one

1-[3-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-3-oxopropyl]pyrrolidin-2-one (PubChem CID 131943275) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[3-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-3-oxopropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-3-oxopropyl]pyrrolidin-2-one
PubChem CID131943275
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[3-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESCN(C)CC1COCCN(C(=O)CCN2CCCC2=O)C1
InChIInChI=1S/C15H27N3O3/c1-16(2)10-13-11-18(8-9-21-12-13)15(20)5-7-17-6-3-4-14(17)19/h13H,3-12H2,1-2H3
InChIKeyDFZNFMBJHVPAQV-UHFFFAOYSA-N
XLogP0.04
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3R,5R)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]piperidin-2-one
CID 72940031
1-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-2-(4-ethylpiperazin-1-yl)ethanone
CID 131917333
1-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 131937464
1-[3-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one
CID 26405708
3-[3-[(6S)-6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one
CID 124752091
[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-(3-methylthiophen-2-yl)methanone
CID 91794608
1-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-4-(4-ethoxy-3-methylphenyl)butan-1-one
CID 135106390
1-[3-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 97187760
1-[3-oxo-3-[2-(2-phenylethyl)morpholin-4-yl]propyl]azepan-2-one
CID 45227906
1-[3-(oxolan-3-ylamino)butyl]pyrrolidin-2-one
CID 115718781
(3-chlorothiophen-2-yl)-[(6R)-6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]methanone
CID 124749226
1-[3-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]piperidin-2-one
CID 166623630

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-3-oxopropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-3-oxopropyl]pyrrolidin-2-one (CID 131943275) is 1-[3-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-3-oxopropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-3-oxopropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-3-oxopropyl]pyrrolidin-2-one is CN(C)CC1COCCN(C(=O)CCN2CCCC2=O)C1.
What is the InChIKey of 1-[3-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-3-oxopropyl]pyrrolidin-2-one?
The InChIKey is DFZNFMBJHVPAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-16(2)10-13-11-18(8-9-21-12-13)15(20)5-7-17-6-3-4-14(17)19/h13H,3-12H2,1-2H3.
What are the key properties of 1-[3-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-3-oxopropyl]pyrrolidin-2-one?
1-[3-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-3-oxopropyl]pyrrolidin-2-one has a molecular weight of 297.40 g/mol, XLogP of 0.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-3-oxopropyl]pyrrolidin-2-one is sourced from PubChem (CID 131943275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).