methyl 4-chloro-2-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]benzoate

C19H26ClN3O4 — CID 20907513

IUPACmethyl 4-chloro-2-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C19H26ClN3O4/c1-26-18(24)16-3-2-15(20)12-17(16)21-19(25)23-6-4-14(5-7-23)13-22-8-10-27-11-9-22/h2-3,12,14H,4-11,13H2,1H3,(H,21,25)
InChIKeyBMUMQPJWKJHHHJ-UHFFFAOYSA-N
MW395.89 g/mol
LogP2.70
Rot. Bonds4

About methyl 4-chloro-2-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]benzoate

methyl 4-chloro-2-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]benzoate (PubChem CID 20907513) has the molecular formula C19H26ClN3O4 and a molecular weight of 395.89 g/mol. Its IUPAC name is methyl 4-chloro-2-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]benzoate
PubChem CID20907513
Molecular FormulaC19H26ClN3O4
Molecular Weight395.89 g/mol
Exact Mass395.16
IUPAC Namemethyl 4-chloro-2-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C19H26ClN3O4/c1-26-18(24)16-3-2-15(20)12-17(16)21-19(25)23-6-4-14(5-7-23)13-22-8-10-27-11-9-22/h2-3,12,14H,4-11,13H2,1H3,(H,21,25)
InChIKeyBMUMQPJWKJHHHJ-UHFFFAOYSA-N
XLogP2.70
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-chloro-2-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 75510503
4-chloro-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61199543
N-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105995
N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide
CID 121091740
1-[(5-chloro-2-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102649
methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate
CID 55536184
N-(2,4-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105994
(3R)-N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 25302330
ethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate
CID 20907510
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
methyl 2-[[(1-acetylpiperidin-4-yl)-propan-2-ylcarbamoyl]amino]-4-chlorobenzoate
CID 22510688
methyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate
CID 79151802

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-2-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]benzoate (CID 20907513) is methyl 4-chloro-2-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-2-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-2-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]benzoate is COC(=O)c1ccc(Cl)cc1NC(=O)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of methyl 4-chloro-2-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]benzoate?
The InChIKey is BMUMQPJWKJHHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O4/c1-26-18(24)16-3-2-15(20)12-17(16)21-19(25)23-6-4-14(5-7-23)13-22-8-10-27-11-9-22/h2-3,12,14H,4-11,13H2,1H3,(H,21,25).
What are the key properties of methyl 4-chloro-2-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]benzoate?
methyl 4-chloro-2-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]benzoate has a molecular weight of 395.89 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 20907513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).