N-[1-[2-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]indol-4-yl]acetamide

C25H27N5O2 — CID 125123549

IUPACN-[1-[2-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]indol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1ccn2CC(=O)N1CCCC[C@@H]1c1nc2ccccc2n1C
InChIInChI=1S/C25H27N5O2/c1-17(31)26-19-9-7-12-21-18(19)13-15-29(21)16-24(32)30-14-6-5-11-23(30)25-27-20-8-3-4-10-22(20)28(25)2/h3-4,7-10,12-13,15,23H,5-6,11,14,16H2,1-2H3,(H,26,31)/t23-/m1/s1
InChIKeyFKRDNNNDHSOARX-HSZRJFAPSA-N
MW429.52 g/mol
LogP4.24
Rot. Bonds4

About N-[1-[2-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]indol-4-yl]acetamide

N-[1-[2-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]indol-4-yl]acetamide (PubChem CID 125123549) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[1-[2-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]indol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]indol-4-yl]acetamide
PubChem CID125123549
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN-[1-[2-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]indol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1ccn2CC(=O)N1CCCC[C@@H]1c1nc2ccccc2n1C
InChIInChI=1S/C25H27N5O2/c1-17(31)26-19-9-7-12-21-18(19)13-15-29(21)16-24(32)30-14-6-5-11-23(30)25-27-20-8-3-4-10-22(20)28(25)2/h3-4,7-10,12-13,15,23H,5-6,11,14,16H2,1-2H3,(H,26,31)/t23-/m1/s1
InChIKeyFKRDNNNDHSOARX-HSZRJFAPSA-N
XLogP4.24
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]indol-4-yl]acetamide with MolForge

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Related Compounds

1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 42536555
(2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
CID 51966220
1-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 94640388
3-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 56821041
N-[1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-4-yl]acetamide
CID 71828394
[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571162
[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571163
(2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
CID 125123416
2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide
CID 71829005
3-(2,5-difluorophenyl)-1-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 71886897
N-[1-[2-[(1S,2S,9R,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]-2-oxoethyl]indol-4-yl]acetamide
CID 126418059
furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91822619

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]indol-4-yl]acetamide?
The IUPAC name of N-[1-[2-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]indol-4-yl]acetamide (CID 125123549) is N-[1-[2-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]indol-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]indol-4-yl]acetamide?
The canonical SMILES for N-[1-[2-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]indol-4-yl]acetamide is CC(=O)Nc1cccc2c1ccn2CC(=O)N1CCCC[C@@H]1c1nc2ccccc2n1C.
What is the InChIKey of N-[1-[2-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]indol-4-yl]acetamide?
The InChIKey is FKRDNNNDHSOARX-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-17(31)26-19-9-7-12-21-18(19)13-15-29(21)16-24(32)30-14-6-5-11-23(30)25-27-20-8-3-4-10-22(20)28(25)2/h3-4,7-10,12-13,15,23H,5-6,11,14,16H2,1-2H3,(H,26,31)/t23-/m1/s1.
What are the key properties of N-[1-[2-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]indol-4-yl]acetamide?
N-[1-[2-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]indol-4-yl]acetamide has a molecular weight of 429.52 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]indol-4-yl]acetamide is sourced from PubChem (CID 125123549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).