azepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone

C15H29N3O — CID 116654564

IUPACazepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-15(2,3)18-12-10-17(11-13-18)14(19)16-8-6-4-5-7-9-16/h4-13H2,1-3H3
InChIKeyUMTOXFRYJAPDCE-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.40
Rot. Bonds

About azepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone

azepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone (PubChem CID 116654564) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is azepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone
PubChem CID116654564
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Nameazepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-15(2,3)18-12-10-17(11-13-18)14(19)16-8-6-4-5-7-9-16/h4-13H2,1-3H3
InChIKeyUMTOXFRYJAPDCE-UHFFFAOYSA-N
XLogP2.40
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butylpiperazine-1-carbonyl)piperazine-1-carboxamide
CID 90909249
1-(4-tert-butylpiperazin-1-yl)ethanone
CID 20580594
2-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propanenitrile
CID 112723615
2-[4-(azepane-1-carbonyl)piperazin-1-yl]-2-methylpropanimidamide
CID 79157879
azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 117068106
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375
ethyl 4-tert-butyl-1,4-diazepane-1-carboxylate
CID 58311504
4-tert-butyl-N-methylpiperazine-1-carboxamide
CID 59788280
4-tert-butyl-N-propan-2-ylpiperazine-1-carboxamide
CID 113074849
(4-methylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone
CID 113220293

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone?
The IUPAC name of azepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone (CID 116654564) is azepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone.
What is the SMILES notation for azepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone?
The canonical SMILES for azepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone is CC(C)(C)N1CCN(C(=O)N2CCCCCC2)CC1.
What is the InChIKey of azepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone?
The InChIKey is UMTOXFRYJAPDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-15(2,3)18-12-10-17(11-13-18)14(19)16-8-6-4-5-7-9-16/h4-13H2,1-3H3.
What are the key properties of azepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone?
azepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone has a molecular weight of 267.42 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone is sourced from PubChem (CID 116654564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).