N-(3-phenylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide

C25H28N4OS — CID 53129966

IUPACN-(3-phenylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCN(c2nccnc2Sc2ccccc2)CC1
InChIInChI=1S/C25H28N4OS/c30-24(27-15-7-10-20-8-3-1-4-9-20)21-13-18-29(19-14-21)23-25(28-17-16-26-23)31-22-11-5-2-6-12-22/h1-6,8-9,11-12,16-17,21H,7,10,13-15,18-19H2,(H,27,30)
InChIKeyNEAJXIDHCQAOFI-UHFFFAOYSA-N
MW432.59 g/mol
LogP4.59
Rot. Bonds8

About N-(3-phenylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide

N-(3-phenylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide (PubChem CID 53129966) has the molecular formula C25H28N4OS and a molecular weight of 432.59 g/mol. Its IUPAC name is N-(3-phenylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide
PubChem CID53129966
Molecular FormulaC25H28N4OS
Molecular Weight432.59 g/mol
Exact Mass432.20
IUPAC NameN-(3-phenylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCN(c2nccnc2Sc2ccccc2)CC1
InChIInChI=1S/C25H28N4OS/c30-24(27-15-7-10-20-8-3-1-4-9-20)21-13-18-29(19-14-21)23-25(28-17-16-26-23)31-22-11-5-2-6-12-22/h1-6,8-9,11-12,16-17,21H,7,10,13-15,18-19H2,(H,27,30)
InChIKeyNEAJXIDHCQAOFI-UHFFFAOYSA-N
XLogP4.59
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 54.59
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

1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46333856
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
N-(3-phenylpropyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952026
N-(3-methylbutyl)-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 46392266
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 50781121
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
N-(3-phenylpropyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
CID 123200584
(3S)-N-[(4-methylphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 92884309
(3S)-N-benzyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92884191
N-[(3-chlorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 46392324
N-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29136292
N-[(2-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 46392375

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide (CID 53129966) is N-(3-phenylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide is O=C(NCCCc1ccccc1)C1CCN(c2nccnc2Sc2ccccc2)CC1.
What is the InChIKey of N-(3-phenylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide?
The InChIKey is NEAJXIDHCQAOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4OS/c30-24(27-15-7-10-20-8-3-1-4-9-20)21-13-18-29(19-14-21)23-25(28-17-16-26-23)31-22-11-5-2-6-12-22/h1-6,8-9,11-12,16-17,21H,7,10,13-15,18-19H2,(H,27,30).
What are the key properties of N-(3-phenylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide?
N-(3-phenylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide has a molecular weight of 432.59 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53129966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).