N-[2-[1-[3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoyl]piperidin-2-yl]ethyl]benzamide

C26H32N4O3 — CID 132779425

IUPACN-[2-[1-[3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoyl]piperidin-2-yl]ethyl]benzamide
SMILESCn1c(=O)n(C)c2cc(CCC(=O)N3CCCCC3CCNC(=O)c3ccccc3)ccc21
InChIInChI=1S/C26H32N4O3/c1-28-22-13-11-19(18-23(22)29(2)26(28)33)12-14-24(31)30-17-7-6-10-21(30)15-16-27-25(32)20-8-4-3-5-9-20/h3-5,8-9,11,13,18,21H,6-7,10,12,14-17H2,1-2H3,(H,27,32)
InChIKeyLXCFKCRGVJMMEH-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.01
Rot. Bonds7

About N-[2-[1-[3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoyl]piperidin-2-yl]ethyl]benzamide

N-[2-[1-[3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoyl]piperidin-2-yl]ethyl]benzamide (PubChem CID 132779425) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[2-[1-[3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoyl]piperidin-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-[3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoyl]piperidin-2-yl]ethyl]benzamide
PubChem CID132779425
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-[2-[1-[3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoyl]piperidin-2-yl]ethyl]benzamide
SMILESCn1c(=O)n(C)c2cc(CCC(=O)N3CCCCC3CCNC(=O)c3ccccc3)ccc21
InChIInChI=1S/C26H32N4O3/c1-28-22-13-11-19(18-23(22)29(2)26(28)33)12-14-24(31)30-17-7-6-10-21(30)15-16-27-25(32)20-8-4-3-5-9-20/h3-5,8-9,11,13,18,21H,6-7,10,12,14-17H2,1-2H3,(H,27,32)
InChIKeyLXCFKCRGVJMMEH-UHFFFAOYSA-N
XLogP3.01
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-[3-(5,6-dimethylbenzimidazol-1-yl)propanoyl]piperidin-2-yl]ethyl]benzamide
CID 110076051
N-[2-[(2S)-1-[2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetyl]piperidin-2-yl]ethyl]benzamide
CID 124968105
N-[2-[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide
CID 92634328
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
N-[2-[(2R)-1-(2,2-diphenylacetyl)piperidin-2-yl]ethyl]benzamide
CID 129455068
N-[2-[(2R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide
CID 92634245
N-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]benzamide
CID 47066258
(2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 24720617
N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-4-fluorobenzamide
CID 110791278
N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110791294
4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzoic acid
CID 82071367
(2R)-N-(3-benzamidopropyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 24720594

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoyl]piperidin-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[1-[3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoyl]piperidin-2-yl]ethyl]benzamide (CID 132779425) is N-[2-[1-[3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoyl]piperidin-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[1-[3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoyl]piperidin-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[1-[3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoyl]piperidin-2-yl]ethyl]benzamide is Cn1c(=O)n(C)c2cc(CCC(=O)N3CCCCC3CCNC(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[2-[1-[3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoyl]piperidin-2-yl]ethyl]benzamide?
The InChIKey is LXCFKCRGVJMMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-28-22-13-11-19(18-23(22)29(2)26(28)33)12-14-24(31)30-17-7-6-10-21(30)15-16-27-25(32)20-8-4-3-5-9-20/h3-5,8-9,11,13,18,21H,6-7,10,12,14-17H2,1-2H3,(H,27,32).
What are the key properties of N-[2-[1-[3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoyl]piperidin-2-yl]ethyl]benzamide?
N-[2-[1-[3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoyl]piperidin-2-yl]ethyl]benzamide has a molecular weight of 448.57 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoyl]piperidin-2-yl]ethyl]benzamide is sourced from PubChem (CID 132779425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).