methyl 1-[3-[(2-amino-2-phenylacetyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride

C22H26ClN3O4 — CID 119322257

IUPACmethyl 1-[3-[(2-amino-2-phenylacetyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CCCCN1C(=O)c1cccc(NC(=O)C(N)c2ccccc2)c1.Cl
InChIInChI=1S/C22H25N3O4.ClH/c1-29-22(28)18-12-5-6-13-25(18)21(27)16-10-7-11-17(14-16)24-20(26)19(23)15-8-3-2-4-9-15;/h2-4,7-11,14,18-19H,5-6,12-13,23H2,1H3,(H,24,26);1H
InChIKeyZOBDRHLGRHPZFH-UHFFFAOYSA-N
MW431.92 g/mol
LogP2.91
Rot. Bonds5

About methyl 1-[3-[(2-amino-2-phenylacetyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride

methyl 1-[3-[(2-amino-2-phenylacetyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride (PubChem CID 119322257) has the molecular formula C22H26ClN3O4 and a molecular weight of 431.92 g/mol. Its IUPAC name is methyl 1-[3-[(2-amino-2-phenylacetyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-[3-[(2-amino-2-phenylacetyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride
PubChem CID119322257
Molecular FormulaC22H26ClN3O4
Molecular Weight431.92 g/mol
Exact Mass431.16
IUPAC Namemethyl 1-[3-[(2-amino-2-phenylacetyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CCCCN1C(=O)c1cccc(NC(=O)C(N)c2ccccc2)c1.Cl
InChIInChI=1S/C22H25N3O4.ClH/c1-29-22(28)18-12-5-6-13-25(18)21(27)16-10-7-11-17(14-16)24-20(26)19(23)15-8-3-2-4-9-15;/h2-4,7-11,14,18-19H,5-6,12-13,23H2,1H3,(H,24,26);1H
InChIKeyZOBDRHLGRHPZFH-UHFFFAOYSA-N
XLogP2.91
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 119322240
methyl 1-[3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]piperidine-2-carboxylate
CID 119781239
methyl 1-[3-[(4-amino-3-methoxybutanoyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride
CID 120592080
methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
CID 79833087
methyl 1-[3-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-2-carboxylate
CID 119781229
methyl 1-[3-[[2-(4-aminophenyl)acetyl]amino]benzoyl]piperidine-2-carboxylate
CID 119781221
methyl (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate
CID 95623292
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 119283677
3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid
CID 103868733
1-[3-(2-methylsulfonylpropanoylamino)benzoyl]piperidine-2-carboxylic acid
CID 119243514
methyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate
CID 134039327

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-[(2-amino-2-phenylacetyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 1-[3-[(2-amino-2-phenylacetyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride (CID 119322257) is methyl 1-[3-[(2-amino-2-phenylacetyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-[3-[(2-amino-2-phenylacetyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-[3-[(2-amino-2-phenylacetyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride is COC(=O)C1CCCCN1C(=O)c1cccc(NC(=O)C(N)c2ccccc2)c1.Cl.
What is the InChIKey of methyl 1-[3-[(2-amino-2-phenylacetyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride?
The InChIKey is ZOBDRHLGRHPZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4.ClH/c1-29-22(28)18-12-5-6-13-25(18)21(27)16-10-7-11-17(14-16)24-20(26)19(23)15-8-3-2-4-9-15;/h2-4,7-11,14,18-19H,5-6,12-13,23H2,1H3,(H,24,26);1H.
What are the key properties of methyl 1-[3-[(2-amino-2-phenylacetyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride?
methyl 1-[3-[(2-amino-2-phenylacetyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride has a molecular weight of 431.92 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-[(2-amino-2-phenylacetyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 119322257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).