5-(4-tert-butylazepane-1-carbonyl)piperazin-2-one

C15H27N3O2 — CID 107436688

IUPAC5-(4-tert-butylazepane-1-carbonyl)piperazin-2-one
SMILESCC(C)(C)C1CCCN(C(=O)C2CNC(=O)CN2)CC1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)11-5-4-7-18(8-6-11)14(20)12-9-17-13(19)10-16-12/h11-12,16H,4-10H2,1-3H3,(H,17,19)
InChIKeyJYWZNRLYIYXOBT-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.75
Rot. Bonds1

About 5-(4-tert-butylazepane-1-carbonyl)piperazin-2-one

5-(4-tert-butylazepane-1-carbonyl)piperazin-2-one (PubChem CID 107436688) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-(4-tert-butylazepane-1-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name5-(4-tert-butylazepane-1-carbonyl)piperazin-2-one
PubChem CID107436688
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name5-(4-tert-butylazepane-1-carbonyl)piperazin-2-one
SMILESCC(C)(C)C1CCCN(C(=O)C2CNC(=O)CN2)CC1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)11-5-4-7-18(8-6-11)14(20)12-9-17-13(19)10-16-12/h11-12,16H,4-10H2,1-3H3,(H,17,19)
InChIKeyJYWZNRLYIYXOBT-UHFFFAOYSA-N
XLogP0.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azetidine-1-carbonyl)piperazin-2-one
CID 126980518
(4-tert-butylazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119326041
2-methyl-N-[1-(5-oxopiperazine-2-carbonyl)piperidin-4-yl]propanamide
CID 107435207
5-(3-piperidin-1-ylpyrrolidine-1-carbonyl)piperazin-2-one
CID 107436462
1-(5-oxopiperazine-2-carbonyl)pyrrolidine-3-carboxamide
CID 114081877
3-[1-(5-oxopiperazine-2-carbonyl)piperidin-3-yl]butanoic acid
CID 107437161
(4-tert-butylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119311371
(4-tert-butylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119787780
methyl 2-[4-(5-oxopiperazine-2-carbonyl)piperazin-1-yl]acetate
CID 107435401
5-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperazin-2-one
CID 107435155
5-(3,6-dihydro-2H-pyridine-1-carbonyl)piperazin-2-one
CID 107437768
3-ethyl-1-(5-oxopiperazine-2-carbonyl)piperidine-3-carboxylic acid
CID 107436436

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylazepane-1-carbonyl)piperazin-2-one?
The IUPAC name of 5-(4-tert-butylazepane-1-carbonyl)piperazin-2-one (CID 107436688) is 5-(4-tert-butylazepane-1-carbonyl)piperazin-2-one.
What is the SMILES notation for 5-(4-tert-butylazepane-1-carbonyl)piperazin-2-one?
The canonical SMILES for 5-(4-tert-butylazepane-1-carbonyl)piperazin-2-one is CC(C)(C)C1CCCN(C(=O)C2CNC(=O)CN2)CC1.
What is the InChIKey of 5-(4-tert-butylazepane-1-carbonyl)piperazin-2-one?
The InChIKey is JYWZNRLYIYXOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-15(2,3)11-5-4-7-18(8-6-11)14(20)12-9-17-13(19)10-16-12/h11-12,16H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 5-(4-tert-butylazepane-1-carbonyl)piperazin-2-one?
5-(4-tert-butylazepane-1-carbonyl)piperazin-2-one has a molecular weight of 281.40 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylazepane-1-carbonyl)piperazin-2-one is sourced from PubChem (CID 107436688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).