4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide

C15H30N4O2 — CID 65290869

IUPAC4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)CCC(C)(C)CCN)CC1
InChIInChI=1S/C15H30N4O2/c1-4-17-14(21)19-11-9-18(10-12-19)13(20)5-6-15(2,3)7-8-16/h4-12,16H2,1-3H3,(H,17,21)
InChIKeyNBSLLNNADKRJIY-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.02
Rot. Bonds6

About 4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide

4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide (PubChem CID 65290869) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide
PubChem CID65290869
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)CCC(C)(C)CCN)CC1
InChIInChI=1S/C15H30N4O2/c1-4-17-14(21)19-11-9-18(10-12-19)13(20)5-6-15(2,3)7-8-16/h4-12,16H2,1-3H3,(H,17,21)
InChIKeyNBSLLNNADKRJIY-UHFFFAOYSA-N
XLogP1.02
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one
CID 65291006
6-amino-1-(4-hydroxypiperidin-1-yl)-4,4-dimethylhexan-1-one
CID 65293101
6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one
CID 65291232
6-amino-4,4-dimethyl-1-(1,4-oxazepan-4-yl)hexan-1-one
CID 65291131
4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide
CID 112723929
N-ethylpiperazine-1-carboxamide
CID 9207783
4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide
CID 63679902
N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride
CID 120980560
4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one
CID 65292594
1-(6-amino-4,4-dimethylhexanoyl)piperidine-3-carboxamide
CID 65292570
N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide
CID 65290824
1-(4-acetylpiperazin-1-yl)-4,4-dimethylhexan-1-one
CID 145404490

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide (CID 65290869) is 4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)CCC(C)(C)CCN)CC1.
What is the InChIKey of 4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide?
The InChIKey is NBSLLNNADKRJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-4-17-14(21)19-11-9-18(10-12-19)13(20)5-6-15(2,3)7-8-16/h4-12,16H2,1-3H3,(H,17,21).
What are the key properties of 4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide?
4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 65290869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).