4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N-ethylpiperazine-1-carboxamide

C15H30N4O2 — CID 107471510

IUPAC4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)C(CN)CC(C)(C)C)CC1
InChIInChI=1S/C15H30N4O2/c1-5-17-14(21)19-8-6-18(7-9-19)13(20)12(11-16)10-15(2,3)4/h12H,5-11,16H2,1-4H3,(H,17,21)
InChIKeyGCJFQUCZSOYHKO-UHFFFAOYSA-N
MW298.43 g/mol
LogP0.87
Rot. Bonds4

About 4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N-ethylpiperazine-1-carboxamide

4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 107471510) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N-ethylpiperazine-1-carboxamide
PubChem CID107471510
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)C(CN)CC(C)(C)C)CC1
InChIInChI=1S/C15H30N4O2/c1-5-17-14(21)19-8-6-18(7-9-19)13(20)12(11-16)10-15(2,3)4/h12H,5-11,16H2,1-4H3,(H,17,21)
InChIKeyGCJFQUCZSOYHKO-UHFFFAOYSA-N
XLogP0.87
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one
CID 107470882
2-(aminomethyl)-4,4-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one
CID 107471862
4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide
CID 107904221
3-[4-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperazin-1-yl]propanenitrile
CID 107472554
2-(aminomethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylpentan-1-one
CID 107472973
4-[(2R)-2-amino-4-methylsulfanylbutanoyl]-N-ethylpiperazine-1-carboxamide
CID 104907641
2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-4-yl]acetic acid
CID 107472406
4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide
CID 112723929
1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 107471562
ethane;N-ethyl-4-methylpiperazine-1-carboxamide
CID 162757758
2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4,4-dimethylpentanamide
CID 107472677
4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide
CID 65290869

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N-ethylpiperazine-1-carboxamide (CID 107471510) is 4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)C(CN)CC(C)(C)C)CC1.
What is the InChIKey of 4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is GCJFQUCZSOYHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-5-17-14(21)19-8-6-18(7-9-19)13(20)12(11-16)10-15(2,3)4/h12H,5-11,16H2,1-4H3,(H,17,21).
What are the key properties of 4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N-ethylpiperazine-1-carboxamide?
4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 107471510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).