N-(2-methylpiperidin-4-yl)-3-(pyridin-2-ylmethylsulfanyl)propanamide

C15H23N3OS — CID 120602148

IUPACN-(2-methylpiperidin-4-yl)-3-(pyridin-2-ylmethylsulfanyl)propanamide
SMILESCC1CC(NC(=O)CCSCc2ccccn2)CCN1
InChIInChI=1S/C15H23N3OS/c1-12-10-13(5-8-16-12)18-15(19)6-9-20-11-14-4-2-3-7-17-14/h2-4,7,12-13,16H,5-6,8-11H2,1H3,(H,18,19)
InChIKeyHRPFCYUYZHGJFO-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.96
Rot. Bonds6

About N-(2-methylpiperidin-4-yl)-3-(pyridin-2-ylmethylsulfanyl)propanamide

N-(2-methylpiperidin-4-yl)-3-(pyridin-2-ylmethylsulfanyl)propanamide (PubChem CID 120602148) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-3-(pyridin-2-ylmethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-3-(pyridin-2-ylmethylsulfanyl)propanamide
PubChem CID120602148
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-(2-methylpiperidin-4-yl)-3-(pyridin-2-ylmethylsulfanyl)propanamide
SMILESCC1CC(NC(=O)CCSCc2ccccn2)CCN1
InChIInChI=1S/C15H23N3OS/c1-12-10-13(5-8-16-12)18-15(19)6-9-20-11-14-4-2-3-7-17-14/h2-4,7,12-13,16H,5-6,8-11H2,1H3,(H,18,19)
InChIKeyHRPFCYUYZHGJFO-UHFFFAOYSA-N
XLogP1.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-3-(pyridin-2-ylmethylsulfanyl)propanamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-3-(pyridin-2-ylmethylsulfanyl)propanamide (CID 120602148) is N-(2-methylpiperidin-4-yl)-3-(pyridin-2-ylmethylsulfanyl)propanamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-3-(pyridin-2-ylmethylsulfanyl)propanamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-3-(pyridin-2-ylmethylsulfanyl)propanamide is CC1CC(NC(=O)CCSCc2ccccn2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-3-(pyridin-2-ylmethylsulfanyl)propanamide?
The InChIKey is HRPFCYUYZHGJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-12-10-13(5-8-16-12)18-15(19)6-9-20-11-14-4-2-3-7-17-14/h2-4,7,12-13,16H,5-6,8-11H2,1H3,(H,18,19).
What are the key properties of N-(2-methylpiperidin-4-yl)-3-(pyridin-2-ylmethylsulfanyl)propanamide?
N-(2-methylpiperidin-4-yl)-3-(pyridin-2-ylmethylsulfanyl)propanamide has a molecular weight of 293.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-3-(pyridin-2-ylmethylsulfanyl)propanamide is sourced from PubChem (CID 120602148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).