methyl 1-[3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]piperidine-2-carboxylate

C19H27N3O4 — CID 119781239

IUPACmethyl 1-[3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]piperidine-2-carboxylate
SMILESCNCC(C)C(=O)Nc1cccc(C(=O)N2CCCCC2C(=O)OC)c1
InChIInChI=1S/C19H27N3O4/c1-13(12-20-2)17(23)21-15-8-6-7-14(11-15)18(24)22-10-5-4-9-16(22)19(25)26-3/h6-8,11,13,16,20H,4-5,9-10,12H2,1-3H3,(H,21,23)
InChIKeyXOTPXVLJLIJICV-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.65
Rot. Bonds6

About methyl 1-[3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]piperidine-2-carboxylate

methyl 1-[3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]piperidine-2-carboxylate (PubChem CID 119781239) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is methyl 1-[3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]piperidine-2-carboxylate
PubChem CID119781239
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Namemethyl 1-[3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]piperidine-2-carboxylate
SMILESCNCC(C)C(=O)Nc1cccc(C(=O)N2CCCCC2C(=O)OC)c1
InChIInChI=1S/C19H27N3O4/c1-13(12-20-2)17(23)21-15-8-6-7-14(11-15)18(24)22-10-5-4-9-16(22)19(25)26-3/h6-8,11,13,16,20H,4-5,9-10,12H2,1-3H3,(H,21,23)
InChIKeyXOTPXVLJLIJICV-UHFFFAOYSA-N
XLogP1.65
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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 (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate
CID 95623292
methyl 1-[3-[(4-amino-3-methoxybutanoyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride
CID 120592080
methyl 1-[3-[[2-(4-aminophenyl)acetyl]amino]benzoyl]piperidine-2-carboxylate
CID 119781221
methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
CID 79833087
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
methyl 1-[3-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-2-carboxylate
CID 119781229
1-[3-(2-methylsulfonylpropanoylamino)benzoyl]piperidine-2-carboxylic acid
CID 119243514
methyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate
CID 134039327
1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243504
methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate
CID 79202285

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]piperidine-2-carboxylate (CID 119781239) is methyl 1-[3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]piperidine-2-carboxylate is CNCC(C)C(=O)Nc1cccc(C(=O)N2CCCCC2C(=O)OC)c1.
What is the InChIKey of methyl 1-[3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]piperidine-2-carboxylate?
The InChIKey is XOTPXVLJLIJICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-13(12-20-2)17(23)21-15-8-6-7-14(11-15)18(24)22-10-5-4-9-16(22)19(25)26-3/h6-8,11,13,16,20H,4-5,9-10,12H2,1-3H3,(H,21,23).
What are the key properties of methyl 1-[3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]piperidine-2-carboxylate?
methyl 1-[3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]piperidine-2-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]piperidine-2-carboxylate is sourced from PubChem (CID 119781239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).