[4-(azepane-1-carbonyl)piperazin-1-yl]-(azepan-1-yl)methanone

C18H32N4O2 — CID 6458990

IUPAC[4-(azepane-1-carbonyl)piperazin-1-yl]-(azepan-1-yl)methanone
SMILESO=C(N1CCCCCC1)N1CCN(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C18H32N4O2/c23-17(19-9-5-1-2-6-10-19)21-13-15-22(16-14-21)18(24)20-11-7-3-4-8-12-20/h1-16H2
InChIKeyNMIPDDAMIXEXCY-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.60
Rot. Bonds

About [4-(azepane-1-carbonyl)piperazin-1-yl]-(azepan-1-yl)methanone

[4-(azepane-1-carbonyl)piperazin-1-yl]-(azepan-1-yl)methanone (PubChem CID 6458990) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is [4-(azepane-1-carbonyl)piperazin-1-yl]-(azepan-1-yl)methanone.

Molecular Properties

Compound Name[4-(azepane-1-carbonyl)piperazin-1-yl]-(azepan-1-yl)methanone
PubChem CID6458990
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name[4-(azepane-1-carbonyl)piperazin-1-yl]-(azepan-1-yl)methanone
SMILESO=C(N1CCCCCC1)N1CCN(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C18H32N4O2/c23-17(19-9-5-1-2-6-10-19)21-13-15-22(16-14-21)18(24)20-11-7-3-4-8-12-20/h1-16H2
InChIKeyNMIPDDAMIXEXCY-UHFFFAOYSA-N
XLogP2.60
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(azepane-1-carbonyl)piperazin-1-yl]-(azepan-1-yl)methanone?
The IUPAC name of [4-(azepane-1-carbonyl)piperazin-1-yl]-(azepan-1-yl)methanone (CID 6458990) is [4-(azepane-1-carbonyl)piperazin-1-yl]-(azepan-1-yl)methanone.
What is the SMILES notation for [4-(azepane-1-carbonyl)piperazin-1-yl]-(azepan-1-yl)methanone?
The canonical SMILES for [4-(azepane-1-carbonyl)piperazin-1-yl]-(azepan-1-yl)methanone is O=C(N1CCCCCC1)N1CCN(C(=O)N2CCCCCC2)CC1.
What is the InChIKey of [4-(azepane-1-carbonyl)piperazin-1-yl]-(azepan-1-yl)methanone?
The InChIKey is NMIPDDAMIXEXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c23-17(19-9-5-1-2-6-10-19)21-13-15-22(16-14-21)18(24)20-11-7-3-4-8-12-20/h1-16H2.
What are the key properties of [4-(azepane-1-carbonyl)piperazin-1-yl]-(azepan-1-yl)methanone?
[4-(azepane-1-carbonyl)piperazin-1-yl]-(azepan-1-yl)methanone has a molecular weight of 336.48 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azepane-1-carbonyl)piperazin-1-yl]-(azepan-1-yl)methanone is sourced from PubChem (CID 6458990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).