azepan-1-yl-(2,5-diethylpiperazin-1-yl)methanone

C15H29N3O — CID 79152036

IUPACazepan-1-yl-(2,5-diethylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)N2CCCCCC2)C(CC)CN1
InChIInChI=1S/C15H29N3O/c1-3-13-12-18(14(4-2)11-16-13)15(19)17-9-7-5-6-8-10-17/h13-14,16H,3-12H2,1-2H3
InChIKeyMGRBLUJOOZGFRM-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.44
Rot. Bonds2

About azepan-1-yl-(2,5-diethylpiperazin-1-yl)methanone

azepan-1-yl-(2,5-diethylpiperazin-1-yl)methanone (PubChem CID 79152036) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is azepan-1-yl-(2,5-diethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(2,5-diethylpiperazin-1-yl)methanone
PubChem CID79152036
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Nameazepan-1-yl-(2,5-diethylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)N2CCCCCC2)C(CC)CN1
InChIInChI=1S/C15H29N3O/c1-3-13-12-18(14(4-2)11-16-13)15(19)17-9-7-5-6-8-10-17/h13-14,16H,3-12H2,1-2H3
InChIKeyMGRBLUJOOZGFRM-UHFFFAOYSA-N
XLogP2.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978279
cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978451
2-cyclohexyl-1-(2,5-diethylpiperazin-1-yl)ethanone
CID 64978349
1-(2,5-diethylpiperazin-1-yl)butan-1-one
CID 64977925
(5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone
CID 113222014
4-(2,5-diethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 83192198
1-(2,5-diethylpiperazin-1-yl)octan-1-one
CID 64978357
2-(2,5-diethylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 64978777
1-(2,5-diethylpiperazin-1-yl)-2-ethylhexan-1-one
CID 64978358
(3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107973323
(2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone
CID 64978233
1-(2,5-diethylpiperazin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103164983

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(2,5-diethylpiperazin-1-yl)methanone?
The IUPAC name of azepan-1-yl-(2,5-diethylpiperazin-1-yl)methanone (CID 79152036) is azepan-1-yl-(2,5-diethylpiperazin-1-yl)methanone.
What is the SMILES notation for azepan-1-yl-(2,5-diethylpiperazin-1-yl)methanone?
The canonical SMILES for azepan-1-yl-(2,5-diethylpiperazin-1-yl)methanone is CCC1CN(C(=O)N2CCCCCC2)C(CC)CN1.
What is the InChIKey of azepan-1-yl-(2,5-diethylpiperazin-1-yl)methanone?
The InChIKey is MGRBLUJOOZGFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-13-12-18(14(4-2)11-16-13)15(19)17-9-7-5-6-8-10-17/h13-14,16H,3-12H2,1-2H3.
What are the key properties of azepan-1-yl-(2,5-diethylpiperazin-1-yl)methanone?
azepan-1-yl-(2,5-diethylpiperazin-1-yl)methanone has a molecular weight of 267.42 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(2,5-diethylpiperazin-1-yl)methanone is sourced from PubChem (CID 79152036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).