5-[1-[(1-methyl-6-oxopiperidin-3-yl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one

C15H20N4O2 — CID 64656122

IUPAC5-[1-[(1-methyl-6-oxopiperidin-3-yl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NC1CCC(=O)N(C)C1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H20N4O2/c1-9(16-11-4-6-14(20)19(2)8-11)10-3-5-12-13(7-10)18-15(21)17-12/h3,5,7,9,11,16H,4,6,8H2,1-2H3,(H2,17,18,21)
InChIKeyJMDDVNSXTWOLBH-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.13
Rot. Bonds3

About 5-[1-[(1-methyl-6-oxopiperidin-3-yl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one

5-[1-[(1-methyl-6-oxopiperidin-3-yl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 64656122) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[1-[(1-methyl-6-oxopiperidin-3-yl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-[(1-methyl-6-oxopiperidin-3-yl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID64656122
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-[1-[(1-methyl-6-oxopiperidin-3-yl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NC1CCC(=O)N(C)C1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H20N4O2/c1-9(16-11-4-6-14(20)19(2)8-11)10-3-5-12-13(7-10)18-15(21)17-12/h3,5,7,9,11,16H,4,6,8H2,1-2H3,(H2,17,18,21)
InChIKeyJMDDVNSXTWOLBH-UHFFFAOYSA-N
XLogP1.13
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpiperidin-2-one
CID 64654295
5-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpiperidin-2-one
CID 82993684
5-[1-(1-azabicyclo[2.2.2]octan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43201388
5-[1-[(4-cyclohexyloxycyclohexyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 167769505
5-[1-(oxepan-4-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 65081705
5-[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]-1-methylpiperidin-2-one
CID 84588338
5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43370774
1-methyl-5-(3-methylbutan-2-ylamino)piperidin-2-one
CID 64655130
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 83229540
1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 94799266
5-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-1-methylpiperidin-2-one
CID 64654470

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-methyl-6-oxopiperidin-3-yl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-[(1-methyl-6-oxopiperidin-3-yl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one (CID 64656122) is 5-[1-[(1-methyl-6-oxopiperidin-3-yl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-[(1-methyl-6-oxopiperidin-3-yl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-[(1-methyl-6-oxopiperidin-3-yl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one is CC(NC1CCC(=O)N(C)C1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-[(1-methyl-6-oxopiperidin-3-yl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is JMDDVNSXTWOLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9(16-11-4-6-14(20)19(2)8-11)10-3-5-12-13(7-10)18-15(21)17-12/h3,5,7,9,11,16H,4,6,8H2,1-2H3,(H2,17,18,21).
What are the key properties of 5-[1-[(1-methyl-6-oxopiperidin-3-yl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-[(1-methyl-6-oxopiperidin-3-yl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 288.35 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-methyl-6-oxopiperidin-3-yl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 64656122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).