N-(4-chlorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carbothioamide

C18H26ClN3OS — CID 134113677

IUPACN-(4-chlorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carbothioamide
SMILESS=C(Nc1ccc(Cl)cc1)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C18H26ClN3OS/c19-15-4-6-16(7-5-15)20-18(24)22-9-2-1-3-17(22)8-10-21-11-13-23-14-12-21/h4-7,17H,1-3,8-14H2,(H,20,24)
InChIKeyYRDICASOLPNVFY-UHFFFAOYSA-N
MW367.95 g/mol
LogP3.61
Rot. Bonds4

About N-(4-chlorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carbothioamide

N-(4-chlorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carbothioamide (PubChem CID 134113677) has the molecular formula C18H26ClN3OS and a molecular weight of 367.95 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carbothioamide
PubChem CID134113677
Molecular FormulaC18H26ClN3OS
Molecular Weight367.95 g/mol
Exact Mass367.15
IUPAC NameN-(4-chlorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carbothioamide
SMILESS=C(Nc1ccc(Cl)cc1)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C18H26ClN3OS/c19-15-4-6-16(7-5-15)20-18(24)22-9-2-1-3-17(22)8-10-21-11-13-23-14-12-21/h4-7,17H,1-3,8-14H2,(H,20,24)
InChIKeyYRDICASOLPNVFY-UHFFFAOYSA-N
XLogP3.61
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.95
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 95715007
2-[2-(azepan-1-yl)ethyl]-N-[(4-chlorophenyl)methyl]piperidine-1-carbothioamide
CID 134113688
(2S)-N-(4-fluorophenyl)-2-(2-morpholin-4-ium-4-ylethyl)piperidine-1-carbothioamide
CID 7176799
2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 134086224
N-(4-chlorophenyl)-2-methylazepane-1-carbothioamide
CID 78962558
(4-chloro-2-methoxyphenyl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70752772
(2R)-N-(2H-benzotriazol-5-yl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 97273868
(2R)-N-(4-chlorophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 40622393
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 20994934
N-(2,4-dichlorophenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide
CID 2958699
3-(4-chloropyrazol-1-yl)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one
CID 70735720
2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone
CID 97145614

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carbothioamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carbothioamide (CID 134113677) is N-(4-chlorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carbothioamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carbothioamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carbothioamide is S=C(Nc1ccc(Cl)cc1)N1CCCCC1CCN1CCOCC1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carbothioamide?
The InChIKey is YRDICASOLPNVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3OS/c19-15-4-6-16(7-5-15)20-18(24)22-9-2-1-3-17(22)8-10-21-11-13-23-14-12-21/h4-7,17H,1-3,8-14H2,(H,20,24).
What are the key properties of N-(4-chlorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carbothioamide?
N-(4-chlorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carbothioamide has a molecular weight of 367.95 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carbothioamide is sourced from PubChem (CID 134113677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).