1,3-bis(azepan-1-yl)propan-1-one

C15H28N2O — CID 109033498

IUPAC1,3-bis(azepan-1-yl)propan-1-one
SMILESO=C(CCN1CCCCCC1)N1CCCCCC1
InChIInChI=1S/C15H28N2O/c18-15(17-12-7-3-4-8-13-17)9-14-16-10-5-1-2-6-11-16/h1-14H2
InChIKeyBZRSRZGOLIGNBB-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.66
Rot. Bonds3

About 1,3-bis(azepan-1-yl)propan-1-one

1,3-bis(azepan-1-yl)propan-1-one (PubChem CID 109033498) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1,3-bis(azepan-1-yl)propan-1-one.

Molecular Properties

Compound Name1,3-bis(azepan-1-yl)propan-1-one
PubChem CID109033498
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1,3-bis(azepan-1-yl)propan-1-one
SMILESO=C(CCN1CCCCCC1)N1CCCCCC1
InChIInChI=1S/C15H28N2O/c18-15(17-12-7-3-4-8-13-17)9-14-16-10-5-1-2-6-11-16/h1-14H2
InChIKeyBZRSRZGOLIGNBB-UHFFFAOYSA-N
XLogP2.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 3021273
3-(azocan-1-yl)-1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one
CID 46994863
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86931018
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 110665012
3-(azocan-1-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one
CID 50958689
[1-(3-oxo-3-piperidin-1-ylpropyl)piperidin-4-yl]urea
CID 71861034
1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 3066008
1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one
CID 39255742
1-(azepan-1-yl)-3-hydroxypropan-1-one
CID 82111325
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
1,6-dipyrrolidin-1-ylhexane-3,4-dione
CID 3628395

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(azepan-1-yl)propan-1-one?
The IUPAC name of 1,3-bis(azepan-1-yl)propan-1-one (CID 109033498) is 1,3-bis(azepan-1-yl)propan-1-one.
What is the SMILES notation for 1,3-bis(azepan-1-yl)propan-1-one?
The canonical SMILES for 1,3-bis(azepan-1-yl)propan-1-one is O=C(CCN1CCCCCC1)N1CCCCCC1.
What is the InChIKey of 1,3-bis(azepan-1-yl)propan-1-one?
The InChIKey is BZRSRZGOLIGNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c18-15(17-12-7-3-4-8-13-17)9-14-16-10-5-1-2-6-11-16/h1-14H2.
What are the key properties of 1,3-bis(azepan-1-yl)propan-1-one?
1,3-bis(azepan-1-yl)propan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(azepan-1-yl)propan-1-one is sourced from PubChem (CID 109033498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).