3-amino-N-[[1-(3-ethyl-4-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride

C17H34ClN3O2 — CID 120578716

IUPAC3-amino-N-[[1-(3-ethyl-4-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCCC(CC(=O)N1CCCCC1CNC(=O)CCN)C(C)C.Cl
InChIInChI=1S/C17H33N3O2.ClH/c1-4-14(13(2)3)11-17(22)20-10-6-5-7-15(20)12-19-16(21)8-9-18;/h13-15H,4-12,18H2,1-3H3,(H,19,21);1H
InChIKeyBHURQYMNKNTJTJ-UHFFFAOYSA-N
MW347.93 g/mol
LogP2.33
Rot. Bonds8

About 3-amino-N-[[1-(3-ethyl-4-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-(3-ethyl-4-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120578716) has the molecular formula C17H34ClN3O2 and a molecular weight of 347.93 g/mol. Its IUPAC name is 3-amino-N-[[1-(3-ethyl-4-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(3-ethyl-4-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120578716
Molecular FormulaC17H34ClN3O2
Molecular Weight347.93 g/mol
Exact Mass347.23
IUPAC Name3-amino-N-[[1-(3-ethyl-4-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCCC(CC(=O)N1CCCCC1CNC(=O)CCN)C(C)C.Cl
InChIInChI=1S/C17H33N3O2.ClH/c1-4-14(13(2)3)11-17(22)20-10-6-5-7-15(20)12-19-16(21)8-9-18;/h13-15H,4-12,18H2,1-3H3,(H,19,21);1H
InChIKeyBHURQYMNKNTJTJ-UHFFFAOYSA-N
XLogP2.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.93
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide
CID 120578067
3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579984
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]butanamide
CID 120578111
3-amino-N-[[1-(2-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579826
3-amino-N-[[1-[2-(2-methylpropylsulfonyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578118
3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579366
3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579242
3-amino-N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 122081320
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120579455
5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide
CID 120578395
3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 122084349

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(3-ethyl-4-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(3-ethyl-4-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120578716) is 3-amino-N-[[1-(3-ethyl-4-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(3-ethyl-4-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(3-ethyl-4-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride is CCC(CC(=O)N1CCCCC1CNC(=O)CCN)C(C)C.Cl.
What is the InChIKey of 3-amino-N-[[1-(3-ethyl-4-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is BHURQYMNKNTJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2.ClH/c1-4-14(13(2)3)11-17(22)20-10-6-5-7-15(20)12-19-16(21)8-9-18;/h13-15H,4-12,18H2,1-3H3,(H,19,21);1H.
What are the key properties of 3-amino-N-[[1-(3-ethyl-4-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-(3-ethyl-4-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 347.93 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(3-ethyl-4-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120578716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).