N-(1-chlorophenothiazin-10-yl)-2-piperidin-1-ylacetamide

C19H20ClN3OS — CID 44555640

IUPACN-(1-chlorophenothiazin-10-yl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)NN1c2ccccc2Sc2cccc(Cl)c21
InChIInChI=1S/C19H20ClN3OS/c20-14-7-6-10-17-19(14)23(15-8-2-3-9-16(15)25-17)21-18(24)13-22-11-4-1-5-12-22/h2-3,6-10H,1,4-5,11-13H2,(H,21,24)
InChIKeyKBZSFWLURQFJSH-UHFFFAOYSA-N
MW373.91 g/mol
LogP4.46
Rot. Bonds3

About N-(1-chlorophenothiazin-10-yl)-2-piperidin-1-ylacetamide

N-(1-chlorophenothiazin-10-yl)-2-piperidin-1-ylacetamide (PubChem CID 44555640) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is N-(1-chlorophenothiazin-10-yl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(1-chlorophenothiazin-10-yl)-2-piperidin-1-ylacetamide
PubChem CID44555640
Molecular FormulaC19H20ClN3OS
Molecular Weight373.91 g/mol
Exact Mass373.10
IUPAC NameN-(1-chlorophenothiazin-10-yl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)NN1c2ccccc2Sc2cccc(Cl)c21
InChIInChI=1S/C19H20ClN3OS/c20-14-7-6-10-17-19(14)23(15-8-2-3-9-16(15)25-17)21-18(24)13-22-11-4-1-5-12-22/h2-3,6-10H,1,4-5,11-13H2,(H,21,24)
InChIKeyKBZSFWLURQFJSH-UHFFFAOYSA-N
XLogP4.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone
CID 1114043
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone;hydrochloride
CID 2861917
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894573
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide
CID 10528264
1-pyrrolidin-1-ylphenothiazine-10-carboxylic acid
CID 137367001
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(2,6-dichlorophenyl)acetamide
CID 60511172
2-(azocan-1-yl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 25435064
1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 121238698

Frequently Asked Questions

What is the IUPAC name of N-(1-chlorophenothiazin-10-yl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(1-chlorophenothiazin-10-yl)-2-piperidin-1-ylacetamide (CID 44555640) is N-(1-chlorophenothiazin-10-yl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(1-chlorophenothiazin-10-yl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(1-chlorophenothiazin-10-yl)-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)NN1c2ccccc2Sc2cccc(Cl)c21.
What is the InChIKey of N-(1-chlorophenothiazin-10-yl)-2-piperidin-1-ylacetamide?
The InChIKey is KBZSFWLURQFJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OS/c20-14-7-6-10-17-19(14)23(15-8-2-3-9-16(15)25-17)21-18(24)13-22-11-4-1-5-12-22/h2-3,6-10H,1,4-5,11-13H2,(H,21,24).
What are the key properties of N-(1-chlorophenothiazin-10-yl)-2-piperidin-1-ylacetamide?
N-(1-chlorophenothiazin-10-yl)-2-piperidin-1-ylacetamide has a molecular weight of 373.91 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorophenothiazin-10-yl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 44555640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).