3-(3,4-dimethoxyphenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide

C19H30N2O3S — CID 119825082

IUPAC3-(3,4-dimethoxyphenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide
SMILESCCCN(C(=O)CCSc1ccc(OC)c(OC)c1)C1CCNCC1
InChIInChI=1S/C19H30N2O3S/c1-4-12-21(15-7-10-20-11-8-15)19(22)9-13-25-16-5-6-17(23-2)18(14-16)24-3/h5-6,14-15,20H,4,7-13H2,1-3H3
InChIKeyFPLXDIWURLLBLQ-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.18
Rot. Bonds9

About 3-(3,4-dimethoxyphenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide

3-(3,4-dimethoxyphenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide (PubChem CID 119825082) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide
PubChem CID119825082
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name3-(3,4-dimethoxyphenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide
SMILESCCCN(C(=O)CCSc1ccc(OC)c(OC)c1)C1CCNCC1
InChIInChI=1S/C19H30N2O3S/c1-4-12-21(15-7-10-20-11-8-15)19(22)9-13-25-16-5-6-17(23-2)18(14-16)24-3/h5-6,14-15,20H,4,7-13H2,1-3H3
InChIKeyFPLXDIWURLLBLQ-UHFFFAOYSA-N
XLogP3.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824335
3-(2-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530663
3-(2,4-dimethylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824893
2-(2,6-dimethoxyphenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119825135
3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825395
2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119529826
3-(5-chloro-2-methoxyanilino)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119533142
N-cyclopropyl-3-(3,4-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide
CID 43577392
3-(2-phenylphenoxy)-N-piperidin-4-yl-N-propylpropanamide
CID 119825238
3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823113
N-piperidin-4-yl-N-propylhexanamide
CID 60807623
N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide
CID 119825767

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide (CID 119825082) is 3-(3,4-dimethoxyphenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide is CCCN(C(=O)CCSc1ccc(OC)c(OC)c1)C1CCNCC1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide?
The InChIKey is FPLXDIWURLLBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-4-12-21(15-7-10-20-11-8-15)19(22)9-13-25-16-5-6-17(23-2)18(14-16)24-3/h5-6,14-15,20H,4,7-13H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide?
3-(3,4-dimethoxyphenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide has a molecular weight of 366.53 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide is sourced from PubChem (CID 119825082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).