2-[[2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide

C27H37N5O4 — CID 24507507

IUPAC2-[[2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCC1CC(C)CN(C(=O)CN2CCN(CC(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2)C1
InChIInChI=1S/C27H37N5O4/c1-20-14-21(2)17-32(16-20)26(34)19-31-11-9-30(10-12-31)18-25(33)29-24-8-4-3-7-23(24)27(35)28-15-22-6-5-13-36-22/h3-8,13,20-21H,9-12,14-19H2,1-2H3,(H,28,35)(H,29,33)
InChIKeyJSHIAIFLAIZFBP-UHFFFAOYSA-N
MW495.62 g/mol
LogP2.27
Rot. Bonds8

About 2-[[2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide

2-[[2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 24507507) has the molecular formula C27H37N5O4 and a molecular weight of 495.62 g/mol. Its IUPAC name is 2-[[2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID24507507
Molecular FormulaC27H37N5O4
Molecular Weight495.62 g/mol
Exact Mass495.28
IUPAC Name2-[[2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCC1CC(C)CN(C(=O)CN2CCN(CC(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2)C1
InChIInChI=1S/C27H37N5O4/c1-20-14-21(2)17-32(16-20)26(34)19-31-11-9-30(10-12-31)18-25(33)29-24-8-4-3-7-23(24)27(35)28-15-22-6-5-13-36-22/h3-8,13,20-21H,9-12,14-19H2,1-2H3,(H,28,35)(H,29,33)
InChIKeyJSHIAIFLAIZFBP-UHFFFAOYSA-N
XLogP2.27
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 26551359
ethyl 1-[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 8773092
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 9434241
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 8904767
[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 8694578
N-benzyl-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30636513
N-benzyl-2-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30636504
N-(furan-2-ylmethyl)-2-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzamide
CID 34651174
2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 8684008

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 24507507) is 2-[[2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide is CC1CC(C)CN(C(=O)CN2CCN(CC(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2)C1.
What is the InChIKey of 2-[[2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is JSHIAIFLAIZFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O4/c1-20-14-21(2)17-32(16-20)26(34)19-31-11-9-30(10-12-31)18-25(33)29-24-8-4-3-7-23(24)27(35)28-15-22-6-5-13-36-22/h3-8,13,20-21H,9-12,14-19H2,1-2H3,(H,28,35)(H,29,33).
What are the key properties of 2-[[2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
2-[[2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 495.62 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 24507507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).