4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide

C23H32N6O3S — CID 38819154

IUPAC4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide
SMILESO=C(NCCNc1cnccn1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H32N6O3S/c30-23(27-12-11-26-22-18-24-9-10-25-22)19-7-8-20(28-13-3-1-4-14-28)21(17-19)33(31,32)29-15-5-2-6-16-29/h7-10,17-18H,1-6,11-16H2,(H,25,26)(H,27,30)
InChIKeyZXRZAKQPGZTDIN-UHFFFAOYSA-N
MW472.62 g/mol
LogP2.48
Rot. Bonds8

About 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide

4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide (PubChem CID 38819154) has the molecular formula C23H32N6O3S and a molecular weight of 472.62 g/mol. Its IUPAC name is 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide
PubChem CID38819154
Molecular FormulaC23H32N6O3S
Molecular Weight472.62 g/mol
Exact Mass472.23
IUPAC Name4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide
SMILESO=C(NCCNc1cnccn1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H32N6O3S/c30-23(27-12-11-26-22-18-24-9-10-25-22)19-7-8-20(28-13-3-1-4-14-28)21(17-19)33(31,32)29-15-5-2-6-16-29/h7-10,17-18H,1-6,11-16H2,(H,25,26)(H,27,30)
InChIKeyZXRZAKQPGZTDIN-UHFFFAOYSA-N
XLogP2.48
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.62
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(azepan-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-3-carboxamide
CID 37109544
N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349269
4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide
CID 24538191
N-(3-phenylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349231
N-cyclopentyl-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46349079
N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 27005624
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 55879251
N-[2-(1H-indol-3-yl)ethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349257
N-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 55451008
4-chloro-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide
CID 2524943
azepan-1-yl-(4-piperidin-1-yl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 24531727
4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-quinolin-6-ylbenzamide
CID 55784082

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide?
The IUPAC name of 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide (CID 38819154) is 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide?
The canonical SMILES for 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide is O=C(NCCNc1cnccn1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide?
The InChIKey is ZXRZAKQPGZTDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3S/c30-23(27-12-11-26-22-18-24-9-10-25-22)19-7-8-20(28-13-3-1-4-14-28)21(17-19)33(31,32)29-15-5-2-6-16-29/h7-10,17-18H,1-6,11-16H2,(H,25,26)(H,27,30).
What are the key properties of 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide?
4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide has a molecular weight of 472.62 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 38819154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).