N-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide;hydrochloride

C17H34ClN3O2 — CID 119596599

IUPACN-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide;hydrochloride
SMILESCC(C)CC(=O)NC(C(=O)N1CCCC(C(C)N)C1)C(C)C.Cl
InChIInChI=1S/C17H33N3O2.ClH/c1-11(2)9-15(21)19-16(12(3)4)17(22)20-8-6-7-14(10-20)13(5)18;/h11-14,16H,6-10,18H2,1-5H3,(H,19,21);1H
InChIKeyIFTNPLRFLZWODQ-UHFFFAOYSA-N
MW347.93 g/mol
LogP2.18
Rot. Bonds6

About N-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide;hydrochloride

N-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide;hydrochloride (PubChem CID 119596599) has the molecular formula C17H34ClN3O2 and a molecular weight of 347.93 g/mol. Its IUPAC name is N-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide;hydrochloride
PubChem CID119596599
Molecular FormulaC17H34ClN3O2
Molecular Weight347.93 g/mol
Exact Mass347.23
IUPAC NameN-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide;hydrochloride
SMILESCC(C)CC(=O)NC(C(=O)N1CCCC(C(C)N)C1)C(C)C.Cl
InChIInChI=1S/C17H33N3O2.ClH/c1-11(2)9-15(21)19-16(12(3)4)17(22)20-8-6-7-14(10-20)13(5)18;/h11-14,16H,6-10,18H2,1-5H3,(H,19,21);1H
InChIKeyIFTNPLRFLZWODQ-UHFFFAOYSA-N
XLogP2.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.93
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide;hydrochloride with MolForge

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Related Compounds

(3S)-1-[3-methyl-2-(3-methylbutanoylamino)butanoyl]piperidine-3-carboxylic acid
CID 119174275
N-[1-[3-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide
CID 110900075
N-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119596484
N-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide;hydrochloride
CID 119594366
1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119592618
1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclopropylpropan-1-one;hydrochloride
CID 119594099
methyl (3S)-3-[(1R)-1-aminoethyl]piperidine-1-carboxylate
CID 95320381
1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one
CID 119596793
N-[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide;hydrochloride
CID 120655829
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(cyclopentylmethyl)pentan-1-one;hydrochloride
CID 119594215
N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide
CID 119648156
(3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 81118766

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide;hydrochloride?
The IUPAC name of N-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide;hydrochloride (CID 119596599) is N-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide;hydrochloride?
The canonical SMILES for N-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide;hydrochloride is CC(C)CC(=O)NC(C(=O)N1CCCC(C(C)N)C1)C(C)C.Cl.
What is the InChIKey of N-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide;hydrochloride?
The InChIKey is IFTNPLRFLZWODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2.ClH/c1-11(2)9-15(21)19-16(12(3)4)17(22)20-8-6-7-14(10-20)13(5)18;/h11-14,16H,6-10,18H2,1-5H3,(H,19,21);1H.
What are the key properties of N-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide;hydrochloride?
N-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide;hydrochloride has a molecular weight of 347.93 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119596599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).