ethyl 2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethylcarbamoylamino]acetate

C19H27N5O4 — CID 53470248

IUPACethyl 2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C19H27N5O4/c1-2-28-17(25)13-21-18(26)20-9-12-23-10-7-14(8-11-23)24-16-6-4-3-5-15(16)22-19(24)27/h3-6,14H,2,7-13H2,1H3,(H,22,27)(H2,20,21,26)
InChIKeyUWJVHPNVBIHEDL-UHFFFAOYSA-N
MW389.46 g/mol
LogP0.83
Rot. Bonds7

About ethyl 2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethylcarbamoylamino]acetate

ethyl 2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethylcarbamoylamino]acetate (PubChem CID 53470248) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is ethyl 2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethylcarbamoylamino]acetate
PubChem CID53470248
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Nameethyl 2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C19H27N5O4/c1-2-28-17(25)13-21-18(26)20-9-12-23-10-7-14(8-11-23)24-16-6-4-3-5-15(16)22-19(24)27/h3-6,14H,2,7-13H2,1H3,(H,22,27)(H2,20,21,26)
InChIKeyUWJVHPNVBIHEDL-UHFFFAOYSA-N
XLogP0.83
TPSA108.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethylcarbamoylamino]acetate with MolForge

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Related Compounds

1-(2-fluorophenyl)-3-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]urea
CID 53470261
6-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carboxamide
CID 53469989
2-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 21428921
2-amino-6-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 53470001
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 51078345
N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]propane-1-sulfonamide
CID 53470365
3-fluoro-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid
CID 53300658
3,4-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 25105699
2,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 21428849
ethyl 2-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]carbamoylamino]acetate
CID 4108301
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethylcarbamoylamino]acetate (CID 53470248) is ethyl 2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of ethyl 2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethylcarbamoylamino]acetate?
The InChIKey is UWJVHPNVBIHEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-2-28-17(25)13-21-18(26)20-9-12-23-10-7-14(8-11-23)24-16-6-4-3-5-15(16)22-19(24)27/h3-6,14H,2,7-13H2,1H3,(H,22,27)(H2,20,21,26).
What are the key properties of ethyl 2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethylcarbamoylamino]acetate?
ethyl 2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethylcarbamoylamino]acetate has a molecular weight of 389.46 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethylcarbamoylamino]acetate is sourced from PubChem (CID 53470248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).