2-amino-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methylpentanamide;hydrochloride

C17H34ClN3O2 — CID 119723573

IUPAC2-amino-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NC1CCN(C(=O)C(CC)CC)CC1.Cl
InChIInChI=1S/C17H33N3O2.ClH/c1-5-10-17(4,18)16(22)19-14-8-11-20(12-9-14)15(21)13(6-2)7-3;/h13-14H,5-12,18H2,1-4H3,(H,19,22);1H
InChIKeyHZVDAEXJPRHGAT-UHFFFAOYSA-N
MW347.93 g/mol
LogP2.47
Rot. Bonds7

About 2-amino-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methylpentanamide;hydrochloride

2-amino-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methylpentanamide;hydrochloride (PubChem CID 119723573) has the molecular formula C17H34ClN3O2 and a molecular weight of 347.93 g/mol. Its IUPAC name is 2-amino-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methylpentanamide;hydrochloride
PubChem CID119723573
Molecular FormulaC17H34ClN3O2
Molecular Weight347.93 g/mol
Exact Mass347.23
IUPAC Name2-amino-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NC1CCN(C(=O)C(CC)CC)CC1.Cl
InChIInChI=1S/C17H33N3O2.ClH/c1-5-10-17(4,18)16(22)19-14-8-11-20(12-9-14)15(21)13(6-2)7-3;/h13-14H,5-12,18H2,1-4H3,(H,19,22);1H
InChIKeyHZVDAEXJPRHGAT-UHFFFAOYSA-N
XLogP2.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.93
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 110820103
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylpentanamide;dihydrochloride
CID 119864844
N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 124507283
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820033
N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 60550291
N-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide
CID 65227339
1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 119750510
2-chloroethyl N-[1-(2-ethylbutanoyl)piperidin-4-yl]carbamate
CID 108566162
2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818218
2-amino-2-methyl-N-(1-methylpiperidin-3-yl)pentanamide
CID 61212019
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 110820091
1-[4-(1-aminoethyl)piperidin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 119519463

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methylpentanamide;hydrochloride (CID 119723573) is 2-amino-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)NC1CCN(C(=O)C(CC)CC)CC1.Cl.
What is the InChIKey of 2-amino-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methylpentanamide;hydrochloride?
The InChIKey is HZVDAEXJPRHGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2.ClH/c1-5-10-17(4,18)16(22)19-14-8-11-20(12-9-14)15(21)13(6-2)7-3;/h13-14H,5-12,18H2,1-4H3,(H,19,22);1H.
What are the key properties of 2-amino-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methylpentanamide;hydrochloride?
2-amino-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methylpentanamide;hydrochloride has a molecular weight of 347.93 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119723573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).