methyl 1-(phenothiazine-10-carbonyl)piperidine-2-carboxylate

C20H20N2O3S — CID 23521306

IUPACmethyl 1-(phenothiazine-10-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H20N2O3S/c1-25-19(23)16-10-6-7-13-21(16)20(24)22-14-8-2-4-11-17(14)26-18-12-5-3-9-15(18)22/h2-5,8-9,11-12,16H,6-7,10,13H2,1H3
InChIKeyXNCJUXPANBCHKD-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.44
Rot. Bonds1

About methyl 1-(phenothiazine-10-carbonyl)piperidine-2-carboxylate

methyl 1-(phenothiazine-10-carbonyl)piperidine-2-carboxylate (PubChem CID 23521306) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is methyl 1-(phenothiazine-10-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(phenothiazine-10-carbonyl)piperidine-2-carboxylate
PubChem CID23521306
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Namemethyl 1-(phenothiazine-10-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H20N2O3S/c1-25-19(23)16-10-6-7-13-21(16)20(24)22-14-8-2-4-11-17(14)26-18-12-5-3-9-15(18)22/h2-5,8-9,11-12,16H,6-7,10,13H2,1H3
InChIKeyXNCJUXPANBCHKD-UHFFFAOYSA-N
XLogP4.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
methyl (2R)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylate
CID 79835980
methyl (2R)-1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535937
methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535683
methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate
CID 61377854
3-[[(2S)-1-(2-chlorophenothiazine-10-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid
CID 59769188
(4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone
CID 714968
methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835759
methyl 1-(2-thiophen-2-ylsulfanylacetyl)piperidine-2-carboxylate
CID 78986623
methyl 1-[2-(2-aminophenoxy)acetyl]piperidine-2-carboxylate
CID 61106803
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593

Frequently Asked Questions

What is the IUPAC name of methyl 1-(phenothiazine-10-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(phenothiazine-10-carbonyl)piperidine-2-carboxylate (CID 23521306) is methyl 1-(phenothiazine-10-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(phenothiazine-10-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(phenothiazine-10-carbonyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of methyl 1-(phenothiazine-10-carbonyl)piperidine-2-carboxylate?
The InChIKey is XNCJUXPANBCHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-25-19(23)16-10-6-7-13-21(16)20(24)22-14-8-2-4-11-17(14)26-18-12-5-3-9-15(18)22/h2-5,8-9,11-12,16H,6-7,10,13H2,1H3.
What are the key properties of methyl 1-(phenothiazine-10-carbonyl)piperidine-2-carboxylate?
methyl 1-(phenothiazine-10-carbonyl)piperidine-2-carboxylate has a molecular weight of 368.46 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(phenothiazine-10-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 23521306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).