4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylbutan-1-one

C15H29N3O2 — CID 66431730

IUPAC4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylbutan-1-one
SMILESCC1CN(C(CN)CC(=O)N2CCCCC2)CCCO1
InChIInChI=1S/C15H29N3O2/c1-13-12-18(8-5-9-20-13)14(11-16)10-15(19)17-6-3-2-4-7-17/h13-14H,2-12,16H2,1H3
InChIKeyZIJVWXADXSYECB-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.83
Rot. Bonds4

About 4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylbutan-1-one

4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylbutan-1-one (PubChem CID 66431730) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylbutan-1-one
PubChem CID66431730
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylbutan-1-one
SMILESCC1CN(C(CN)CC(=O)N2CCCCC2)CCCO1
InChIInChI=1S/C15H29N3O2/c1-13-12-18(8-5-9-20-13)14(11-16)10-15(19)17-6-3-2-4-7-17/h13-14H,2-12,16H2,1H3
InChIKeyZIJVWXADXSYECB-UHFFFAOYSA-N
XLogP0.83
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylbutan-1-one
CID 104958068
4-amino-3-(2,5-dimethylmorpholin-4-yl)-1-piperidin-1-ylbutan-1-one
CID 66432542
4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide
CID 66428883
4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one
CID 102965004
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-1-pyrrolidin-1-ylbutan-1-one
CID 115559409
4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 66430485
4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one
CID 66430499
4-amino-1-piperidin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one
CID 66430100
methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate
CID 62972695
2-methyl-1,4-oxazepane-4-carboxamide
CID 62973061
3-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
CID 62974857
2-cyclopentyl-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62988805

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylbutan-1-one (CID 66431730) is 4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylbutan-1-one is CC1CN(C(CN)CC(=O)N2CCCCC2)CCCO1.
What is the InChIKey of 4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylbutan-1-one?
The InChIKey is ZIJVWXADXSYECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-13-12-18(8-5-9-20-13)14(11-16)10-15(19)17-6-3-2-4-7-17/h13-14H,2-12,16H2,1H3.
What are the key properties of 4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylbutan-1-one?
4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylbutan-1-one has a molecular weight of 283.42 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 66431730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).