methyl 2-[[1-(3-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoate

C21H21ClN2O4 — CID 1330917

IUPACmethyl 2-[[1-(3-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H21ClN2O4/c1-28-21(27)17-7-2-3-8-18(17)23-19(25)14-9-11-24(12-10-14)20(26)15-5-4-6-16(22)13-15/h2-8,13-14H,9-12H2,1H3,(H,23,25)
InChIKeyXZINAPUVPOPVDX-UHFFFAOYSA-N
MW400.86 g/mol
LogP3.62
Rot. Bonds4

About methyl 2-[[1-(3-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoate

methyl 2-[[1-(3-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoate (PubChem CID 1330917) has the molecular formula C21H21ClN2O4 and a molecular weight of 400.86 g/mol. Its IUPAC name is methyl 2-[[1-(3-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-(3-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoate
PubChem CID1330917
Molecular FormulaC21H21ClN2O4
Molecular Weight400.86 g/mol
Exact Mass400.12
IUPAC Namemethyl 2-[[1-(3-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H21ClN2O4/c1-28-21(27)17-7-2-3-8-18(17)23-19(25)14-9-11-24(12-10-14)20(26)15-5-4-6-16(22)13-15/h2-8,13-14H,9-12H2,1H3,(H,23,25)
InChIKeyXZINAPUVPOPVDX-UHFFFAOYSA-N
XLogP3.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.86
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-(3-methylbenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 113007945
methyl 2-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55430267
N-(2-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007109
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193
methyl 2-[[3-(3-chlorobenzoyl)piperidine-1-carbonyl]amino]benzoate
CID 45169004
N-(2-methoxyphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 38646202
N-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007275
1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 2295609
methyl 2-[[1-(oxane-4-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 113007963
N-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 1245576
methyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 1326683
N-(4-chloro-2-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113007278

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(3-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[1-(3-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoate (CID 1330917) is methyl 2-[[1-(3-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[1-(3-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[1-(3-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of methyl 2-[[1-(3-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoate?
The InChIKey is XZINAPUVPOPVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O4/c1-28-21(27)17-7-2-3-8-18(17)23-19(25)14-9-11-24(12-10-14)20(26)15-5-4-6-16(22)13-15/h2-8,13-14H,9-12H2,1H3,(H,23,25).
What are the key properties of methyl 2-[[1-(3-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoate?
methyl 2-[[1-(3-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoate has a molecular weight of 400.86 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(3-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 1330917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).