ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide

C26H37N3O3 — CID 167471306

IUPACethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide
SMILESCC.CC.CCCC(C(=O)NC=O)N1C(=O)c2cccc3c(C4CCNCC4)ccc1c23
InChIInChI=1S/C22H25N3O3.2C2H6/c1-2-4-19(21(27)24-13-26)25-18-8-7-15(14-9-11-23-12-10-14)16-5-3-6-17(20(16)18)22(25)28;2*1-2/h3,5-8,13-14,19,23H,2,4,9-12H2,1H3,(H,24,26,27);2*1-2H3
InChIKeyRFXGQQKWOPRQKK-UHFFFAOYSA-N
MW439.60 g/mol
LogP4.76
Rot. Bonds6

About ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide

ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide (PubChem CID 167471306) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide.

Molecular Properties

Compound Nameethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide
PubChem CID167471306
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC Nameethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide
SMILESCC.CC.CCCC(C(=O)NC=O)N1C(=O)c2cccc3c(C4CCNCC4)ccc1c23
InChIInChI=1S/C22H25N3O3.2C2H6/c1-2-4-19(21(27)24-13-26)25-18-8-7-15(14-9-11-23-12-10-14)16-5-3-6-17(20(16)18)22(25)28;2*1-2/h3,5-8,13-14,19,23H,2,4,9-12H2,1H3,(H,24,26,27);2*1-2H3
InChIKeyRFXGQQKWOPRQKK-UHFFFAOYSA-N
XLogP4.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethane;N-formyl-2-(4-methyl-1,3-dioxoisoindol-2-yl)pentanamide
CID 156711593
2-[6-[(Z)-3-amino-2-[[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]iminomethyl]prop-2-enyl]-2-oxobenzo[cd]indol-1-yl]-N-formylpentanamide
CID 155208171
2-[6-[1-(6-ethylindolizin-2-yl)piperidin-4-yl]-2-oxobenzo[cd]indol-1-yl]-N-methylhex-5-enamide
CID 176988246
2-[6-[1-(6-ethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-4-yl]-2-oxobenzo[cd]indol-1-yl]-N-methylhex-5-enamide
CID 176988111
4-chloro-5-[3-[[1-[[2-[4-[1-(1-formamido-1-oxopentan-2-yl)-2-oxobenzo[cd]indol-6-yl]piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]methylsulfonyl]-2,2-dimethylpiperidin-4-yl]amino]phenyl]-3-(2-oxoethoxy)thiophene-2-carboxylic acid;methanol
CID 176987773
2-[4-[4-(1-formamido-1-oxopentan-2-yl)-2,3-dihydro-1,4-benzoxazin-8-yl]piperidin-1-yl]acetic acid
CID 170625528
2,2-difluoropropanoic acid;4-(2-ethyl-1-methyl-7-piperidin-4-ylindol-3-yl)-N-formylpentanamide
CID 177363243
4-[6-[[4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]-N-formylpentanamide
CID 155207725
N-formyl-4-[2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)benzo[cd]indol-1-yl]pentanamide
CID 155710612
2-[7-[2-(dipropylamino)-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
CID 171788986
ethane;2-(2-oxohexan-3-yl)isoindole-1,3-dione
CID 143996703
N-formyl-4-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]pentanamide
CID 170097464

Frequently Asked Questions

What is the IUPAC name of ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide?
The IUPAC name of ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide (CID 167471306) is ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide.
What is the SMILES notation for ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide?
The canonical SMILES for ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide is CC.CC.CCCC(C(=O)NC=O)N1C(=O)c2cccc3c(C4CCNCC4)ccc1c23.
What is the InChIKey of ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide?
The InChIKey is RFXGQQKWOPRQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3.2C2H6/c1-2-4-19(21(27)24-13-26)25-18-8-7-15(14-9-11-23-12-10-14)16-5-3-6-17(20(16)18)22(25)28;2*1-2/h3,5-8,13-14,19,23H,2,4,9-12H2,1H3,(H,24,26,27);2*1-2H3.
What are the key properties of ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide?
ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide has a molecular weight of 439.60 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide is sourced from PubChem (CID 167471306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).