4-methoxy-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide;hydrochloride

C22H28ClN3O2S — CID 119731855

IUPAC4-methoxy-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCCCN2c3ccccc3Sc3ccccc32)CCNCC1.Cl
InChIInChI=1S/C22H27N3O2S.ClH/c1-27-22(11-14-23-15-12-22)21(26)24-13-6-16-25-17-7-2-4-9-19(17)28-20-10-5-3-8-18(20)25;/h2-5,7-10,23H,6,11-16H2,1H3,(H,24,26);1H
InChIKeyCLRGXPNUHPJLBZ-UHFFFAOYSA-N
MW434.01 g/mol
LogP3.99
Rot. Bonds6

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

4-methoxy-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119731855) has the molecular formula C22H28ClN3O2S and a molecular weight of 434.01 g/mol. Its IUPAC name is 4-methoxy-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119731855
Molecular FormulaC22H28ClN3O2S
Molecular Weight434.01 g/mol
Exact Mass433.16
IUPAC Name4-methoxy-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCCCN2c3ccccc3Sc3ccccc32)CCNCC1.Cl
InChIInChI=1S/C22H27N3O2S.ClH/c1-27-22(11-14-23-15-12-22)21(26)24-13-6-16-25-17-7-2-4-9-19(17)28-20-10-5-3-8-18(20)25;/h2-5,7-10,23H,6,11-16H2,1H3,(H,24,26);1H
InChIKeyCLRGXPNUHPJLBZ-UHFFFAOYSA-N
XLogP3.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.01
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-phenothiazin-10-ylpropyl)piperidine-4-carboxamide
CID 119293982
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391157
N-[2-(benzenesulfonamido)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119704269
N-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide
CID 119783001
N-[2-[(2-chlorobenzoyl)amino]ethyl]-4-methoxypiperidine-4-carboxamide
CID 119703580
N-methyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride
CID 155804735
4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide
CID 119889945
N-(3-anilino-3-oxopropyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119785811
4-methoxy-N-pentylpiperidine-4-carboxamide
CID 119669674
4-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-4-carboxamide
CID 119835419
4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride
CID 119718677

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide;hydrochloride (CID 119731855) is 4-methoxy-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide;hydrochloride is COC1(C(=O)NCCCN2c3ccccc3Sc3ccccc32)CCNCC1.Cl.
What is the InChIKey of 4-methoxy-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is CLRGXPNUHPJLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S.ClH/c1-27-22(11-14-23-15-12-22)21(26)24-13-6-16-25-17-7-2-4-9-19(17)28-20-10-5-3-8-18(20)25;/h2-5,7-10,23H,6,11-16H2,1H3,(H,24,26);1H.
What are the key properties of 4-methoxy-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide;hydrochloride?
4-methoxy-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 434.01 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119731855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).