1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]azocan-2-one

C24H37N3O3 — CID 55758315

IUPAC1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]azocan-2-one
SMILESO=C(CN1CCCCCCC1=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C24H37N3O3/c28-21-5-3-1-2-4-6-27(21)17-22(29)25-7-9-26(10-8-25)23(30)24-14-18-11-19(15-24)13-20(12-18)16-24/h18-20H,1-17H2
InChIKeyGOJPIZVHRBOMED-UHFFFAOYSA-N
MW415.58 g/mol
LogP2.67
Rot. Bonds3

About 1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]azocan-2-one

1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]azocan-2-one (PubChem CID 55758315) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is 1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]azocan-2-one.

Molecular Properties

Compound Name1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]azocan-2-one
PubChem CID55758315
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]azocan-2-one
SMILESO=C(CN1CCCCCCC1=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C24H37N3O3/c28-21-5-3-1-2-4-6-27(21)17-22(29)25-7-9-26(10-8-25)23(30)24-14-18-11-19(15-24)13-20(12-18)16-24/h18-20H,1-17H2
InChIKeyGOJPIZVHRBOMED-UHFFFAOYSA-N
XLogP2.67
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(adamantane-1-carbonyl)piperidin-2-one
CID 153488108
1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperidin-2-one
CID 62024110
1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 54878752
1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one
CID 110689775
4-hydroxy-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119251297
1-(2-oxo-2-piperazin-1-ylethyl)piperidin-2-one
CID 28824712
1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride
CID 119544452
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-chloropropan-1-one
CID 108570242
1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-4-carboxamide
CID 110689906
1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63578835
1-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]piperidin-2-one
CID 56869293
1-[2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-oxoethyl]azocan-2-one
CID 55886637

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]azocan-2-one?
The IUPAC name of 1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]azocan-2-one (CID 55758315) is 1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]azocan-2-one.
What is the SMILES notation for 1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]azocan-2-one?
The canonical SMILES for 1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]azocan-2-one is O=C(CN1CCCCCCC1=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]azocan-2-one?
The InChIKey is GOJPIZVHRBOMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c28-21-5-3-1-2-4-6-27(21)17-22(29)25-7-9-26(10-8-25)23(30)24-14-18-11-19(15-24)13-20(12-18)16-24/h18-20H,1-17H2.
What are the key properties of 1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]azocan-2-one?
1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]azocan-2-one has a molecular weight of 415.58 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]azocan-2-one is sourced from PubChem (CID 55758315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).