1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone

C19H19ClN2OS — CID 1114043

IUPAC1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C19H19ClN2OS/c20-14-8-9-18-16(12-14)22(15-6-2-3-7-17(15)24-18)19(23)13-21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2
InChIKeyVBKSJLAPKJNYGO-UHFFFAOYSA-N
MW358.89 g/mol
LogP4.96
Rot. Bonds2

About 1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone

1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone (PubChem CID 1114043) has the molecular formula C19H19ClN2OS and a molecular weight of 358.89 g/mol. Its IUPAC name is 1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone
PubChem CID1114043
Molecular FormulaC19H19ClN2OS
Molecular Weight358.89 g/mol
Exact Mass358.09
IUPAC Name1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C19H19ClN2OS/c20-14-8-9-18-16(12-14)22(15-6-2-3-7-17(15)24-18)19(23)13-21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2
InChIKeyVBKSJLAPKJNYGO-UHFFFAOYSA-N
XLogP4.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone;hydrochloride
CID 2861917
1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 121238698
4-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperazin-2-one
CID 8548058
3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride
CID 24747135
1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone
CID 709851
1-(2-chlorophenothiazin-10-yl)-3-morpholin-4-ylpropan-1-one
CID 1304402
2-(4-methylpiperazin-1-yl)-1-phenothiazin-10-ylethanone;hydrochloride
CID 2873620
1-(2-chlorophenothiazin-10-yl)-2-(2-methylimidazol-1-yl)ethanone
CID 54337450
2-(benzimidazol-1-yl)-1-(2-chlorophenothiazin-10-yl)ethanone
CID 20569753
2-azido-1-(2-chlorophenothiazin-10-yl)ethanone
CID 86728072
(5E)-5-benzylidene-3-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 2270543
(5Z)-5-benzylidene-3-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 2270544

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone (CID 1114043) is 1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone is O=C(CN1CCCCC1)N1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of 1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone?
The InChIKey is VBKSJLAPKJNYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2OS/c20-14-8-9-18-16(12-14)22(15-6-2-3-7-17(15)24-18)19(23)13-21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2.
What are the key properties of 1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone?
1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone has a molecular weight of 358.89 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 1114043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).