N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)adamantane-1-carboxamide

C20H33N3O2 — CID 119454576

IUPACN,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)adamantane-1-carboxamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C20H33N3O2/c1-18-8-15-9-19(2,12-18)14-20(10-15,13-18)17(25)22(3)11-16(24)23-6-4-21-5-7-23/h15,21H,4-14H2,1-3H3
InChIKeyKYRNRKKDGAGFCS-UHFFFAOYSA-N
MW347.50 g/mol
LogP1.87
Rot. Bonds3

About N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)adamantane-1-carboxamide

N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)adamantane-1-carboxamide (PubChem CID 119454576) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)adamantane-1-carboxamide
PubChem CID119454576
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)adamantane-1-carboxamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C20H33N3O2/c1-18-8-15-9-19(2,12-18)14-20(10-15,13-18)17(25)22(3)11-16(24)23-6-4-21-5-7-23/h15,21H,4-14H2,1-3H3
InChIKeyKYRNRKKDGAGFCS-UHFFFAOYSA-N
XLogP1.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N,3,5-trimethyladamantane-1-carboxamide
CID 112771455
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide
CID 43603207
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
CID 43603133
(3R,5R)-N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide
CID 98331375
(E)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)but-2-enamide
CID 61017890
2-amino-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
CID 82511586
N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide
CID 17021574
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
1-(azepan-1-yl)-2-[4-(3,5-dimethyladamantane-1-carbonyl)piperazin-1-yl]ethanone
CID 112799001
2-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
CID 112701223
N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pentanamide
CID 43603175

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)adamantane-1-carboxamide?
The IUPAC name of N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)adamantane-1-carboxamide (CID 119454576) is N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)adamantane-1-carboxamide.
What is the SMILES notation for N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)adamantane-1-carboxamide?
The canonical SMILES for N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)adamantane-1-carboxamide is CN(CC(=O)N1CCNCC1)C(=O)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)adamantane-1-carboxamide?
The InChIKey is KYRNRKKDGAGFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-18-8-15-9-19(2,12-18)14-20(10-15,13-18)17(25)22(3)11-16(24)23-6-4-21-5-7-23/h15,21H,4-14H2,1-3H3.
What are the key properties of N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)adamantane-1-carboxamide?
N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)adamantane-1-carboxamide has a molecular weight of 347.50 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)adamantane-1-carboxamide is sourced from PubChem (CID 119454576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).