N-[1-(3-aminobutanoyl)piperidin-3-yl]-2-methylpropanamide;hydrochloride

C13H26ClN3O2 — CID 119761594

IUPACN-[1-(3-aminobutanoyl)piperidin-3-yl]-2-methylpropanamide;hydrochloride
SMILESCC(N)CC(=O)N1CCCC(NC(=O)C(C)C)C1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-9(2)13(18)15-11-5-4-6-16(8-11)12(17)7-10(3)14;/h9-11H,4-8,14H2,1-3H3,(H,15,18);1H
InChIKeyXZIBBLSBHWCNRC-UHFFFAOYSA-N
MW291.82 g/mol
LogP0.91
Rot. Bonds4

About N-[1-(3-aminobutanoyl)piperidin-3-yl]-2-methylpropanamide;hydrochloride

N-[1-(3-aminobutanoyl)piperidin-3-yl]-2-methylpropanamide;hydrochloride (PubChem CID 119761594) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is N-[1-(3-aminobutanoyl)piperidin-3-yl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-aminobutanoyl)piperidin-3-yl]-2-methylpropanamide;hydrochloride
PubChem CID119761594
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC NameN-[1-(3-aminobutanoyl)piperidin-3-yl]-2-methylpropanamide;hydrochloride
SMILESCC(N)CC(=O)N1CCCC(NC(=O)C(C)C)C1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-9(2)13(18)15-11-5-4-6-16(8-11)12(17)7-10(3)14;/h9-11H,4-8,14H2,1-3H3,(H,15,18);1H
InChIKeyXZIBBLSBHWCNRC-UHFFFAOYSA-N
XLogP0.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide
CID 54871310
N-[1-(3-aminobutanoyl)piperidin-3-yl]naphthalene-2-carboxamide;hydrochloride
CID 119821243
2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
CID 127187955
N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride
CID 120790923
3-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)butan-1-one
CID 63151719
3-amino-1-[3-(3,5-dimethoxyanilino)piperidin-1-yl]butan-1-one
CID 120873076
3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119786526
N-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride
CID 120929371
ethyl N-[1-(5-aminohexanoyl)piperidin-3-yl]carbamate
CID 82851351
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
N-[(3S)-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanamide
CID 100734340
N-[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]propanamide;hydrochloride
CID 119310713

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminobutanoyl)piperidin-3-yl]-2-methylpropanamide;hydrochloride?
The IUPAC name of N-[1-(3-aminobutanoyl)piperidin-3-yl]-2-methylpropanamide;hydrochloride (CID 119761594) is N-[1-(3-aminobutanoyl)piperidin-3-yl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for N-[1-(3-aminobutanoyl)piperidin-3-yl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for N-[1-(3-aminobutanoyl)piperidin-3-yl]-2-methylpropanamide;hydrochloride is CC(N)CC(=O)N1CCCC(NC(=O)C(C)C)C1.Cl.
What is the InChIKey of N-[1-(3-aminobutanoyl)piperidin-3-yl]-2-methylpropanamide;hydrochloride?
The InChIKey is XZIBBLSBHWCNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-9(2)13(18)15-11-5-4-6-16(8-11)12(17)7-10(3)14;/h9-11H,4-8,14H2,1-3H3,(H,15,18);1H.
What are the key properties of N-[1-(3-aminobutanoyl)piperidin-3-yl]-2-methylpropanamide;hydrochloride?
N-[1-(3-aminobutanoyl)piperidin-3-yl]-2-methylpropanamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminobutanoyl)piperidin-3-yl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119761594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).