2-[4-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide

C22H29N5O3 — CID 47048160

IUPAC2-[4-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NC(=O)Cn2c(=O)n(C3=CCCCC3)c3ccccc32)CC1
InChIInChI=1S/C22H29N5O3/c23-20(28)14-25-12-10-16(11-13-25)24-21(29)15-26-18-8-4-5-9-19(18)27(22(26)30)17-6-2-1-3-7-17/h4-6,8-9,16H,1-3,7,10-15H2,(H2,23,28)(H,24,29)
InChIKeyJTUXISRBPDKDIH-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.28
Rot. Bonds6

About 2-[4-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide

2-[4-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide (PubChem CID 47048160) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-[4-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide
PubChem CID47048160
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name2-[4-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NC(=O)Cn2c(=O)n(C3=CCCCC3)c3ccccc32)CC1
InChIInChI=1S/C22H29N5O3/c23-20(28)14-25-12-10-16(11-13-25)24-21(29)15-26-18-8-4-5-9-19(18)27(22(26)30)17-6-2-1-3-7-17/h4-6,8-9,16H,1-3,7,10-15H2,(H2,23,28)(H,24,29)
InChIKeyJTUXISRBPDKDIH-UHFFFAOYSA-N
XLogP1.28
TPSA102.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide with MolForge

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Related Compounds

2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 47058980
2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 47045303
2-[4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]acetamide
CID 134047876
2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 47047269
N-methyl-2-[4-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]acetamide
CID 32528500
2-[4-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 24629861
N-(1-benzylpiperidin-4-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 34363205
N-cyclopropyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 17445359
2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide
CID 43425925
N-(1-methylsulfonylpiperidin-4-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 39999738
2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-(1-benzylpiperidin-4-yl)acetamide
CID 42792950
N-(1-benzylpyrrolidin-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18156454

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide (CID 47048160) is 2-[4-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(NC(=O)Cn2c(=O)n(C3=CCCCC3)c3ccccc32)CC1.
What is the InChIKey of 2-[4-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide?
The InChIKey is JTUXISRBPDKDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c23-20(28)14-25-12-10-16(11-13-25)24-21(29)15-26-18-8-4-5-9-19(18)27(22(26)30)17-6-2-1-3-7-17/h4-6,8-9,16H,1-3,7,10-15H2,(H2,23,28)(H,24,29).
What are the key properties of 2-[4-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide?
2-[4-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide has a molecular weight of 411.51 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 47048160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).