(2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride

C17H26ClN3O2 — CID 119787601

IUPAC(2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NC1CCCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-17(2,3)14(18)15(21)19-13-10-7-11-20(16(13)22)12-8-5-4-6-9-12;/h4-6,8-9,13-14H,7,10-11,18H2,1-3H3,(H,19,21);1H/t13?,14-;/m1./s1
InChIKeyYTTCRJNEHQUZAE-BAGZVPGASA-N
MW339.87 g/mol
LogP2.09
Rot. Bonds3

About (2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride

(2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride (PubChem CID 119787601) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride
PubChem CID119787601
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NC1CCCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-17(2,3)14(18)15(21)19-13-10-7-11-20(16(13)22)12-8-5-4-6-9-12;/h4-6,8-9,13-14H,7,10-11,18H2,1-3H3,(H,19,21);1H/t13?,14-;/m1./s1
InChIKeyYTTCRJNEHQUZAE-BAGZVPGASA-N
XLogP2.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;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

(2S)-2-amino-3,3-dimethyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]butanamide;hydrochloride
CID 119802744
2-amino-2-(oxan-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 120793480
2,2-dimethyl-4-oxo-4-[(2-oxo-1-phenylpiperidin-3-yl)amino]butanoic acid
CID 119133851
2-(4-aminophenyl)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787581
2-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 119787596
1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124590960
3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
CID 119781200
2-(cyclopropylmethylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787603
2-amino-2-(oxan-4-yl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide;hydrochloride
CID 120792867
2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119185398
2-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-phenylpropanamide
CID 120592079
4-amino-5-chloro-2-methoxy-N-(2-oxo-1-phenylpiperidin-3-yl)benzamide;hydrochloride
CID 119787621

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride (CID 119787601) is (2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride is CC(C)(C)[C@H](N)C(=O)NC1CCCN(c2ccccc2)C1=O.Cl.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride?
The InChIKey is YTTCRJNEHQUZAE-BAGZVPGASA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-17(2,3)14(18)15(21)19-13-10-7-11-20(16(13)22)12-8-5-4-6-9-12;/h4-6,8-9,13-14H,7,10-11,18H2,1-3H3,(H,19,21);1H/t13?,14-;/m1./s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride?
(2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride is sourced from PubChem (CID 119787601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).