4-[[(2S)-2-aminobutanoyl]amino]-2-piperidin-1-ylbenzamide;hydrochloride

C16H25ClN4O2 — CID 119325043

IUPAC4-[[(2S)-2-aminobutanoyl]amino]-2-piperidin-1-ylbenzamide;hydrochloride
SMILESCC[C@H](N)C(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-2-13(17)16(22)19-11-6-7-12(15(18)21)14(10-11)20-8-4-3-5-9-20;/h6-7,10,13H,2-5,8-9,17H2,1H3,(H2,18,21)(H,19,22);1H/t13-;/m0./s1
InChIKeyISQVRZGMRAEKOV-ZOWNYOTGSA-N
MW340.86 g/mol
LogP1.87
Rot. Bonds5

About 4-[[(2S)-2-aminobutanoyl]amino]-2-piperidin-1-ylbenzamide;hydrochloride

4-[[(2S)-2-aminobutanoyl]amino]-2-piperidin-1-ylbenzamide;hydrochloride (PubChem CID 119325043) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is 4-[[(2S)-2-aminobutanoyl]amino]-2-piperidin-1-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[[(2S)-2-aminobutanoyl]amino]-2-piperidin-1-ylbenzamide;hydrochloride
PubChem CID119325043
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC Name4-[[(2S)-2-aminobutanoyl]amino]-2-piperidin-1-ylbenzamide;hydrochloride
SMILESCC[C@H](N)C(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-2-13(17)16(22)19-11-6-7-12(15(18)21)14(10-11)20-8-4-3-5-9-20;/h6-7,10,13H,2-5,8-9,17H2,1H3,(H2,18,21)(H,19,22);1H/t13-;/m0./s1
InChIKeyISQVRZGMRAEKOV-ZOWNYOTGSA-N
XLogP1.87
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[(2S)-2-aminobutanoyl]amino]-2-piperidin-1-ylbenzamide;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

4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-piperidin-1-ylbenzamide
CID 119325036
4-acetamido-2-piperidin-1-ylbenzamide
CID 69312911
(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)butanamide
CID 79024792
(2S)-2-amino-N-[4-(azepan-1-yl)phenyl]butanamide
CID 79022944
4-[4-(methylamino)butanoylamino]-2-piperidin-1-ylbenzamide;hydrochloride
CID 119786091
4-[[2-(cyclopropylmethylamino)acetyl]amino]-2-piperidin-1-ylbenzamide;hydrochloride
CID 119786105
2-amino-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 43704585
4-[[(2S)-2-aminobutanoyl]amino]-2-methylbenzoic acid
CID 79023128
2-piperidin-1-yl-4-(pyridin-4-ylmethylamino)benzamide
CID 122131807
2-piperidin-1-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119786123
N-(3-amino-4-piperidin-1-ylphenyl)-2-methylpropanamide
CID 91676092
N-(4-amino-3-piperidin-1-ylphenyl)acetamide
CID 69310437

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-aminobutanoyl]amino]-2-piperidin-1-ylbenzamide;hydrochloride?
The IUPAC name of 4-[[(2S)-2-aminobutanoyl]amino]-2-piperidin-1-ylbenzamide;hydrochloride (CID 119325043) is 4-[[(2S)-2-aminobutanoyl]amino]-2-piperidin-1-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-[[(2S)-2-aminobutanoyl]amino]-2-piperidin-1-ylbenzamide;hydrochloride?
The canonical SMILES for 4-[[(2S)-2-aminobutanoyl]amino]-2-piperidin-1-ylbenzamide;hydrochloride is CC[C@H](N)C(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1.Cl.
What is the InChIKey of 4-[[(2S)-2-aminobutanoyl]amino]-2-piperidin-1-ylbenzamide;hydrochloride?
The InChIKey is ISQVRZGMRAEKOV-ZOWNYOTGSA-N. The full InChI is InChI=1S/C16H24N4O2.ClH/c1-2-13(17)16(22)19-11-6-7-12(15(18)21)14(10-11)20-8-4-3-5-9-20;/h6-7,10,13H,2-5,8-9,17H2,1H3,(H2,18,21)(H,19,22);1H/t13-;/m0./s1.
What are the key properties of 4-[[(2S)-2-aminobutanoyl]amino]-2-piperidin-1-ylbenzamide;hydrochloride?
4-[[(2S)-2-aminobutanoyl]amino]-2-piperidin-1-ylbenzamide;hydrochloride has a molecular weight of 340.86 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-aminobutanoyl]amino]-2-piperidin-1-ylbenzamide;hydrochloride is sourced from PubChem (CID 119325043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).