1-[4-[4-(methylamino)oxolane-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one

C14H25N3O3 — CID 66265829

IUPAC1-[4-[4-(methylamino)oxolane-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one
SMILESCCC(=O)N1CCCN(C(=O)C2COCC2NC)CC1
InChIInChI=1S/C14H25N3O3/c1-3-13(18)16-5-4-6-17(8-7-16)14(19)11-9-20-10-12(11)15-2/h11-12,15H,3-10H2,1-2H3
InChIKeyLWFOEALHIWQCRW-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.31
Rot. Bonds3

About 1-[4-[4-(methylamino)oxolane-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one

1-[4-[4-(methylamino)oxolane-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one (PubChem CID 66265829) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[4-[4-(methylamino)oxolane-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[4-(methylamino)oxolane-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one
PubChem CID66265829
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[4-[4-(methylamino)oxolane-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one
SMILESCCC(=O)N1CCCN(C(=O)C2COCC2NC)CC1
InChIInChI=1S/C14H25N3O3/c1-3-13(18)16-5-4-6-17(8-7-16)14(19)11-9-20-10-12(11)15-2/h11-12,15H,3-10H2,1-2H3
InChIKeyLWFOEALHIWQCRW-UHFFFAOYSA-N
XLogP-0.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxypiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66267148
[4-(methylamino)oxolan-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
CID 66266429
2-methyl-1-[4-[4-(methylamino)oxolane-3-carbonyl]piperazin-1-yl]propan-1-one
CID 66267388
(3-hydroxypiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66267351
(4-ethyl-3-methylpiperazin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66265663
N-ethyl-1-[4-(methylamino)oxolane-3-carbonyl]piperidine-4-carboxamide
CID 66267202
(4-methyl-1,4-diazepan-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66256881
3-[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-4-yl]propanoic acid
CID 66267039
[4-(ethylamino)oxolan-3-yl]-(1,4-oxazepan-4-yl)methanone
CID 66260265
[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-3-yl]methylurea
CID 66265033
[4-(methylamino)oxolan-3-yl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 66265073
[4-(ethylamino)oxolan-3-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 66258499

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(methylamino)oxolane-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one?
The IUPAC name of 1-[4-[4-(methylamino)oxolane-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one (CID 66265829) is 1-[4-[4-(methylamino)oxolane-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[4-(methylamino)oxolane-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[4-(methylamino)oxolane-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one is CCC(=O)N1CCCN(C(=O)C2COCC2NC)CC1.
What is the InChIKey of 1-[4-[4-(methylamino)oxolane-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one?
The InChIKey is LWFOEALHIWQCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-13(18)16-5-4-6-17(8-7-16)14(19)11-9-20-10-12(11)15-2/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 1-[4-[4-(methylamino)oxolane-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one?
1-[4-[4-(methylamino)oxolane-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one has a molecular weight of 283.37 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(methylamino)oxolane-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one is sourced from PubChem (CID 66265829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).