methyl 1-[3-(morpholine-2-carbonylamino)benzoyl]piperidine-2-carboxylate

C19H25N3O5 — CID 119781247

IUPACmethyl 1-[3-(morpholine-2-carbonylamino)benzoyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cccc(NC(=O)C2CNCCO2)c1
InChIInChI=1S/C19H25N3O5/c1-26-19(25)15-7-2-3-9-22(15)18(24)13-5-4-6-14(11-13)21-17(23)16-12-20-8-10-27-16/h4-6,11,15-16,20H,2-3,7-10,12H2,1H3,(H,21,23)
InChIKeyMXSRBXONLFPRGU-UHFFFAOYSA-N
MW375.43 g/mol
LogP0.78
Rot. Bonds4

About methyl 1-[3-(morpholine-2-carbonylamino)benzoyl]piperidine-2-carboxylate

methyl 1-[3-(morpholine-2-carbonylamino)benzoyl]piperidine-2-carboxylate (PubChem CID 119781247) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is methyl 1-[3-(morpholine-2-carbonylamino)benzoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(morpholine-2-carbonylamino)benzoyl]piperidine-2-carboxylate
PubChem CID119781247
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Namemethyl 1-[3-(morpholine-2-carbonylamino)benzoyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cccc(NC(=O)C2CNCCO2)c1
InChIInChI=1S/C19H25N3O5/c1-26-19(25)15-7-2-3-9-22(15)18(24)13-5-4-6-14(11-13)21-17(23)16-12-20-8-10-27-16/h4-6,11,15-16,20H,2-3,7-10,12H2,1H3,(H,21,23)
InChIKeyMXSRBXONLFPRGU-UHFFFAOYSA-N
XLogP0.78
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119712346
methyl 1-[3-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-2-carboxylate
CID 119781229
methyl 1-[3-[[(2S)-2-aminopropanoyl]amino]benzoyl]piperidine-2-carboxylate
CID 119322240
methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
CID 79833087
methyl (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate
CID 95623292
methyl 1-[3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]piperidine-2-carboxylate
CID 119781239
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
methyl 1-[3-[[2-(4-aminophenyl)acetyl]amino]benzoyl]piperidine-2-carboxylate
CID 119781221
methyl 1-[3-[(2-amino-2-phenylacetyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride
CID 119322257
(2R)-N-[3-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 94637367
methyl 1-[3-[(4-amino-3-methoxybutanoyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride
CID 120592080
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 119403640

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(morpholine-2-carbonylamino)benzoyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[3-(morpholine-2-carbonylamino)benzoyl]piperidine-2-carboxylate (CID 119781247) is methyl 1-[3-(morpholine-2-carbonylamino)benzoyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[3-(morpholine-2-carbonylamino)benzoyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[3-(morpholine-2-carbonylamino)benzoyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1cccc(NC(=O)C2CNCCO2)c1.
What is the InChIKey of methyl 1-[3-(morpholine-2-carbonylamino)benzoyl]piperidine-2-carboxylate?
The InChIKey is MXSRBXONLFPRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-26-19(25)15-7-2-3-9-22(15)18(24)13-5-4-6-14(11-13)21-17(23)16-12-20-8-10-27-16/h4-6,11,15-16,20H,2-3,7-10,12H2,1H3,(H,21,23).
What are the key properties of methyl 1-[3-(morpholine-2-carbonylamino)benzoyl]piperidine-2-carboxylate?
methyl 1-[3-(morpholine-2-carbonylamino)benzoyl]piperidine-2-carboxylate has a molecular weight of 375.43 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(morpholine-2-carbonylamino)benzoyl]piperidine-2-carboxylate is sourced from PubChem (CID 119781247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).