1-[3-(2-chlorophenyl)sulfanylpropyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

C21H33ClN2O2S — CID 56510035

IUPAC1-[3-(2-chlorophenyl)sulfanylpropyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(CCCSc2ccccc2Cl)CC1
InChIInChI=1S/C21H33ClN2O2S/c1-17(2)26-15-5-11-23-21(25)18-9-13-24(14-10-18)12-6-16-27-20-8-4-3-7-19(20)22/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3,(H,23,25)
InChIKeyUMWDDPAEHAQNNC-UHFFFAOYSA-N
MW413.03 g/mol
LogP4.47
Rot. Bonds11

About 1-[3-(2-chlorophenyl)sulfanylpropyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

1-[3-(2-chlorophenyl)sulfanylpropyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (PubChem CID 56510035) has the molecular formula C21H33ClN2O2S and a molecular weight of 413.03 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)sulfanylpropyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)sulfanylpropyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
PubChem CID56510035
Molecular FormulaC21H33ClN2O2S
Molecular Weight413.03 g/mol
Exact Mass412.20
IUPAC Name1-[3-(2-chlorophenyl)sulfanylpropyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(CCCSc2ccccc2Cl)CC1
InChIInChI=1S/C21H33ClN2O2S/c1-17(2)26-15-5-11-23-21(25)18-9-13-24(14-10-18)12-6-16-27-20-8-4-3-7-19(20)22/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3,(H,23,25)
InChIKeyUMWDDPAEHAQNNC-UHFFFAOYSA-N
XLogP4.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.03
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,5-dichlorophenoxy)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 112828824
1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17152501
1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17153129
1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119720641
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 93492205
N-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 169317104
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
1-[(2S)-2-amino-3-phenylpropanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119287834
1-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 60503970
1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 56509650
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 87014166
1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide
CID 38572415

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)sulfanylpropyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(2-chlorophenyl)sulfanylpropyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (CID 56510035) is 1-[3-(2-chlorophenyl)sulfanylpropyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2-chlorophenyl)sulfanylpropyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2-chlorophenyl)sulfanylpropyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is CC(C)OCCCNC(=O)C1CCN(CCCSc2ccccc2Cl)CC1.
What is the InChIKey of 1-[3-(2-chlorophenyl)sulfanylpropyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The InChIKey is UMWDDPAEHAQNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33ClN2O2S/c1-17(2)26-15-5-11-23-21(25)18-9-13-24(14-10-18)12-6-16-27-20-8-4-3-7-19(20)22/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3,(H,23,25).
What are the key properties of 1-[3-(2-chlorophenyl)sulfanylpropyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
1-[3-(2-chlorophenyl)sulfanylpropyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide has a molecular weight of 413.03 g/mol, XLogP of 4.47, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)sulfanylpropyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 56510035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).