ethyl 1-(phenothiazine-10-carbonyl)piperidine-4-carboxylate

C21H22N2O3S — CID 988584

IUPACethyl 1-(phenothiazine-10-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1
InChIInChI=1S/C21H22N2O3S/c1-2-26-20(24)15-11-13-22(14-12-15)21(25)23-16-7-3-5-9-18(16)27-19-10-6-4-8-17(19)23/h3-10,15H,2,11-14H2,1H3
InChIKeySCAMSIHLYSBNDS-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.68
Rot. Bonds2

About ethyl 1-(phenothiazine-10-carbonyl)piperidine-4-carboxylate

ethyl 1-(phenothiazine-10-carbonyl)piperidine-4-carboxylate (PubChem CID 988584) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is ethyl 1-(phenothiazine-10-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(phenothiazine-10-carbonyl)piperidine-4-carboxylate
PubChem CID988584
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Nameethyl 1-(phenothiazine-10-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1
InChIInChI=1S/C21H22N2O3S/c1-2-26-20(24)15-11-13-22(14-12-15)21(25)23-16-7-3-5-9-18(16)27-19-10-6-4-8-17(19)23/h3-10,15H,2,11-14H2,1H3
InChIKeySCAMSIHLYSBNDS-UHFFFAOYSA-N
XLogP4.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(phenothiazine-10-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(phenothiazine-10-carbonyl)piperidine-4-carboxylate (CID 988584) is ethyl 1-(phenothiazine-10-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(phenothiazine-10-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(phenothiazine-10-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1.
What is the InChIKey of ethyl 1-(phenothiazine-10-carbonyl)piperidine-4-carboxylate?
The InChIKey is SCAMSIHLYSBNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-2-26-20(24)15-11-13-22(14-12-15)21(25)23-16-7-3-5-9-18(16)27-19-10-6-4-8-17(19)23/h3-10,15H,2,11-14H2,1H3.
What are the key properties of ethyl 1-(phenothiazine-10-carbonyl)piperidine-4-carboxylate?
ethyl 1-(phenothiazine-10-carbonyl)piperidine-4-carboxylate has a molecular weight of 382.49 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(phenothiazine-10-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 988584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).