3-benzylsulfanyl-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide

C19H24N4OS — CID 118778072

IUPAC3-benzylsulfanyl-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
SMILESO=C(CCSCc1ccccc1)NC1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H24N4OS/c24-19(8-13-25-15-16-4-2-1-3-5-16)22-17-6-11-23(12-7-17)18-14-20-9-10-21-18/h1-5,9-10,14,17H,6-8,11-13,15H2,(H,22,24)
InChIKeyKLCBKNPWUMPFPB-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.89
Rot. Bonds7

About 3-benzylsulfanyl-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide

3-benzylsulfanyl-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide (PubChem CID 118778072) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 3-benzylsulfanyl-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-benzylsulfanyl-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
PubChem CID118778072
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name3-benzylsulfanyl-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
SMILESO=C(CCSCc1ccccc1)NC1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H24N4OS/c24-19(8-13-25-15-16-4-2-1-3-5-16)22-17-6-11-23(12-7-17)18-14-20-9-10-21-18/h1-5,9-10,14,17H,6-8,11-13,15H2,(H,22,24)
InChIKeyKLCBKNPWUMPFPB-UHFFFAOYSA-N
XLogP2.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
CID 118780415
(2R)-2-cyclopentyl-2-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)acetamide
CID 125164422
(2S)-3-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-2-(tetrazol-1-yl)propanamide
CID 126454160
N-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide
CID 38795279
1-(4-ethylsulfanylphenyl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 118779226
(3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51934536
1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 23609685
5-amino-4-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide
CID 82013435
N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-3-carboxamide
CID 133273014
3-benzylsulfanyl-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 135089627
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 71960811

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfanyl-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide?
The IUPAC name of 3-benzylsulfanyl-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide (CID 118778072) is 3-benzylsulfanyl-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-benzylsulfanyl-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-benzylsulfanyl-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide is O=C(CCSCc1ccccc1)NC1CCN(c2cnccn2)CC1.
What is the InChIKey of 3-benzylsulfanyl-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide?
The InChIKey is KLCBKNPWUMPFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c24-19(8-13-25-15-16-4-2-1-3-5-16)22-17-6-11-23(12-7-17)18-14-20-9-10-21-18/h1-5,9-10,14,17H,6-8,11-13,15H2,(H,22,24).
What are the key properties of 3-benzylsulfanyl-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide?
3-benzylsulfanyl-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide has a molecular weight of 356.50 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfanyl-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide is sourced from PubChem (CID 118778072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).