3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride

C13H26ClN3O2 — CID 119957116

IUPAC3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride
SMILESCC(C)(C)C1CCN(C(=O)C(N)CC(N)=O)CC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-13(2,3)9-4-6-16(7-5-9)12(18)10(14)8-11(15)17;/h9-10H,4-8,14H2,1-3H3,(H2,15,17);1H
InChIKeyPTMJJLBBPRNAJH-UHFFFAOYSA-N
MW291.82 g/mol
LogP0.90
Rot. Bonds3

About 3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride

3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride (PubChem CID 119957116) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is 3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride
PubChem CID119957116
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC Name3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride
SMILESCC(C)(C)C1CCN(C(=O)C(N)CC(N)=O)CC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-13(2,3)9-4-6-16(7-5-9)12(18)10(14)8-11(15)17;/h9-10H,4-8,14H2,1-3H3,(H2,15,17);1H
InChIKeyPTMJJLBBPRNAJH-UHFFFAOYSA-N
XLogP0.90
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(4-tert-butylazepan-1-yl)pentan-1-one;hydrochloride
CID 119326049
3-amino-4-oxo-4-(4-propan-2-ylazepan-1-yl)butanamide;hydrochloride
CID 119957428
3-[1-(2,4-diamino-4-oxobutanoyl)piperidin-4-yl]propanoic acid
CID 62215546
2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one
CID 81089188
ethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate
CID 60846566
3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide
CID 54874302
3-amino-4-(3,4-dimethylpyrrolidin-1-yl)-4-oxobutanamide;hydrochloride
CID 119957492
4-amino-3-(4-tert-butylpiperidin-1-yl)butanamide
CID 66426477
3-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-oxobutanamide
CID 82695564
ethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate
CID 54916787
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-oxobutanamide;hydrochloride
CID 119957439
4-(2,4-diamino-4-oxobutanoyl)-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 119956526

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride?
The IUPAC name of 3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride (CID 119957116) is 3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride.
What is the SMILES notation for 3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride?
The canonical SMILES for 3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride is CC(C)(C)C1CCN(C(=O)C(N)CC(N)=O)CC1.Cl.
What is the InChIKey of 3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride?
The InChIKey is PTMJJLBBPRNAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-13(2,3)9-4-6-16(7-5-9)12(18)10(14)8-11(15)17;/h9-10H,4-8,14H2,1-3H3,(H2,15,17);1H.
What are the key properties of 3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride?
3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119957116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).