1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide

C21H24ClN3OS — CID 6761

💊View drug profile → pipamazine
IUPAC1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
InChIInChI=1S/C21H24ClN3OS/c22-16-6-7-20-18(14-16)25(17-4-1-2-5-19(17)27-20)11-3-10-24-12-8-15(9-13-24)21(23)26/h1-2,4-7,14-15H,3,8-13H2,(H2,23,26)
InChIKeyOSJJYEUEJRVVOD-UHFFFAOYSA-N
MW401.96 g/mol
LogP4.53
Rot. Bonds5

About 1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide

1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide (PubChem CID 6761) has the molecular formula C21H24ClN3OS and a molecular weight of 401.96 g/mol. Its IUPAC name is 1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide
PubChem CID6761
Molecular FormulaC21H24ClN3OS
Molecular Weight401.96 g/mol
Exact Mass401.13
IUPAC Name1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
InChIInChI=1S/C21H24ClN3OS/c22-16-6-7-20-18(14-16)25(17-4-1-2-5-19(17)27-20)11-3-10-24-12-8-15(9-13-24)21(23)26/h1-2,4-7,14-15H,3,8-13H2,(H2,23,26)
InChIKeyOSJJYEUEJRVVOD-UHFFFAOYSA-N
XLogP4.53
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Prochlorperazine
CID 4917
Spiclomazine
CID 65714
N,N-Didemethylchlorpromazine
CID 74981
Chloracizine
CID 13113
Azaclorzine Hydrochloride
CID 39525
Phenothiazine, 2-chloro-10-(1-methyl-3-piperidylmethyl)-
CID 199093
Azaclorzine
CID 39526
2-Chloro-10-(2-(1-methyl-2-piperidinyl)ethyl)-10H-phenothiazine
CID 99712
1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-(3-(2-chloro-10H-phenothiazin-10-yl)propyl)-, hydrochloride (1:1)
CID 122820
10H-Phenothiazine-10-propanamine, 2-chloro-, hydrochloride (1:1)
CID 197797
Desmethylchlorpromazine
CID 62875
Norprochlorperazine
CID 10451115

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide (CID 6761) is 1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.
What is the InChIKey of 1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide?
The InChIKey is OSJJYEUEJRVVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3OS/c22-16-6-7-20-18(14-16)25(17-4-1-2-5-19(17)27-20)11-3-10-24-12-8-15(9-13-24)21(23)26/h1-2,4-7,14-15H,3,8-13H2,(H2,23,26).
What are the key properties of 1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide?
1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide has a molecular weight of 401.96 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 6761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).