N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide

C21H25N3OS — CID 119293982

IUPACN-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCN1c2ccccc2Sc2ccccc21)C1CCNCC1
InChIInChI=1S/C21H25N3OS/c25-21(16-10-13-22-14-11-16)23-12-5-15-24-17-6-1-3-8-19(17)26-20-9-4-2-7-18(20)24/h1-4,6-9,16,22H,5,10-15H2,(H,23,25)
InChIKeyZNIMYCCZLLUHDY-UHFFFAOYSA-N
MW367.52 g/mol
LogP3.80
Rot. Bonds5

About N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide

N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide (PubChem CID 119293982) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide
PubChem CID119293982
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC NameN-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCN1c2ccccc2Sc2ccccc21)C1CCNCC1
InChIInChI=1S/C21H25N3OS/c25-21(16-10-13-22-14-11-16)23-12-5-15-24-17-6-1-3-8-19(17)26-20-9-4-2-7-18(20)24/h1-4,6-9,16,22H,5,10-15H2,(H,23,25)
InChIKeyZNIMYCCZLLUHDY-UHFFFAOYSA-N
XLogP3.80
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide
CID 90259864
1-ethylsulfonyl-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide
CID 55679725
(2R)-5-oxo-N-(3-phenothiazin-10-ylpropyl)pyrrolidine-2-carboxamide
CID 96559582
3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391157
5-cyclopropyl-N-(3-phenothiazin-10-ylpropyl)-1H-pyrazole-3-carboxamide
CID 55652720
N-[2-(2,3-dihydroindol-1-yl)ethyl]piperidine-4-carboxamide
CID 155615979
2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide
CID 119731854
1-(4-phenothiazin-10-ylbutyl)piperidine-4-carboxylic acid
CID 50852383
10-(4-bromobutyl)phenothiazine
CID 14549797
4-oxo-N-(3-phenothiazin-10-ylpropyl)-3H-phthalazine-1-carboxamide
CID 55652639
ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 142349997
N-(4-phenothiazin-10-ylbutyl)methanesulfonamide
CID 11078573

Frequently Asked Questions

What is the IUPAC name of N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide (CID 119293982) is N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide is O=C(NCCCN1c2ccccc2Sc2ccccc21)C1CCNCC1.
What is the InChIKey of N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide?
The InChIKey is ZNIMYCCZLLUHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c25-21(16-10-13-22-14-11-16)23-12-5-15-24-17-6-1-3-8-19(17)26-20-9-4-2-7-18(20)24/h1-4,6-9,16,22H,5,10-15H2,(H,23,25).
What are the key properties of N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide?
N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide has a molecular weight of 367.52 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 119293982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).