methyl 1-[3-[(4-amino-3-methoxybutanoyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride

C19H28ClN3O5 — CID 120592080

IUPACmethyl 1-[3-[(4-amino-3-methoxybutanoyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CCCCN1C(=O)c1cccc(NC(=O)CC(CN)OC)c1.Cl
InChIInChI=1S/C19H27N3O5.ClH/c1-26-15(12-20)11-17(23)21-14-7-5-6-13(10-14)18(24)22-9-4-3-8-16(22)19(25)27-2;/h5-7,10,15-16H,3-4,8-9,11-12,20H2,1-2H3,(H,21,23);1H
InChIKeyAQJUUQXUQHFAFB-UHFFFAOYSA-N
MW413.90 g/mol
LogP1.58
Rot. Bonds7

About methyl 1-[3-[(4-amino-3-methoxybutanoyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride

methyl 1-[3-[(4-amino-3-methoxybutanoyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride (PubChem CID 120592080) has the molecular formula C19H28ClN3O5 and a molecular weight of 413.90 g/mol. Its IUPAC name is methyl 1-[3-[(4-amino-3-methoxybutanoyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-[3-[(4-amino-3-methoxybutanoyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride
PubChem CID120592080
Molecular FormulaC19H28ClN3O5
Molecular Weight413.90 g/mol
Exact Mass413.17
IUPAC Namemethyl 1-[3-[(4-amino-3-methoxybutanoyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CCCCN1C(=O)c1cccc(NC(=O)CC(CN)OC)c1.Cl
InChIInChI=1S/C19H27N3O5.ClH/c1-26-15(12-20)11-17(23)21-14-7-5-6-13(10-14)18(24)22-9-4-3-8-16(22)19(25)27-2;/h5-7,10,15-16H,3-4,8-9,11-12,20H2,1-2H3,(H,21,23);1H
InChIKeyAQJUUQXUQHFAFB-UHFFFAOYSA-N
XLogP1.58
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.90
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 1-[3-[(4-amino-3-methoxybutanoyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride with MolForge

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Related Compounds

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-[[(2S)-2-aminopropanoyl]amino]benzoyl]piperidine-2-carboxylate
CID 119322240
methyl 1-[3-[(2-amino-2-phenylacetyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride
CID 119322257
methyl 1-[3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]piperidine-2-carboxylate
CID 119781239
4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride
CID 120590833
methyl 1-[3-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-2-carboxylate
CID 119781229
1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243504
methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
CID 79833087
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
4-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methoxybutanamide
CID 120590924
methyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate
CID 134039327

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-[(4-amino-3-methoxybutanoyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 1-[3-[(4-amino-3-methoxybutanoyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride (CID 120592080) is methyl 1-[3-[(4-amino-3-methoxybutanoyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-[3-[(4-amino-3-methoxybutanoyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-[3-[(4-amino-3-methoxybutanoyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride is COC(=O)C1CCCCN1C(=O)c1cccc(NC(=O)CC(CN)OC)c1.Cl.
What is the InChIKey of methyl 1-[3-[(4-amino-3-methoxybutanoyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride?
The InChIKey is AQJUUQXUQHFAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5.ClH/c1-26-15(12-20)11-17(23)21-14-7-5-6-13(10-14)18(24)22-9-4-3-8-16(22)19(25)27-2;/h5-7,10,15-16H,3-4,8-9,11-12,20H2,1-2H3,(H,21,23);1H.
What are the key properties of methyl 1-[3-[(4-amino-3-methoxybutanoyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride?
methyl 1-[3-[(4-amino-3-methoxybutanoyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride has a molecular weight of 413.90 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-[(4-amino-3-methoxybutanoyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 120592080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).