methyl 3-[1-(1-cyanocyclopentanecarbonyl)piperidin-4-yl]-1H-indole-5-carboxylate

C22H25N3O3 — CID 166255803

IUPACmethyl 3-[1-(1-cyanocyclopentanecarbonyl)piperidin-4-yl]-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]cc(C3CCN(C(=O)C4(C#N)CCCC4)CC3)c2c1
InChIInChI=1S/C22H25N3O3/c1-28-20(26)16-4-5-19-17(12-16)18(13-24-19)15-6-10-25(11-7-15)21(27)22(14-23)8-2-3-9-22/h4-5,12-13,15,24H,2-3,6-11H2,1H3
InChIKeyZVADOOJWTKCQDZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.74
Rot. Bonds3

About methyl 3-[1-(1-cyanocyclopentanecarbonyl)piperidin-4-yl]-1H-indole-5-carboxylate

methyl 3-[1-(1-cyanocyclopentanecarbonyl)piperidin-4-yl]-1H-indole-5-carboxylate (PubChem CID 166255803) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is methyl 3-[1-(1-cyanocyclopentanecarbonyl)piperidin-4-yl]-1H-indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[1-(1-cyanocyclopentanecarbonyl)piperidin-4-yl]-1H-indole-5-carboxylate
PubChem CID166255803
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Namemethyl 3-[1-(1-cyanocyclopentanecarbonyl)piperidin-4-yl]-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]cc(C3CCN(C(=O)C4(C#N)CCCC4)CC3)c2c1
InChIInChI=1S/C22H25N3O3/c1-28-20(26)16-4-5-19-17(12-16)18(13-24-19)15-6-10-25(11-7-15)21(27)22(14-23)8-2-3-9-22/h4-5,12-13,15,24H,2-3,6-11H2,1H3
InChIKeyZVADOOJWTKCQDZ-UHFFFAOYSA-N
XLogP3.74
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[1-(1-cyanocyclopentanecarbonyl)piperidin-4-yl]-1H-indole-5-carboxylate with MolForge

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Related Compounds

methyl 3-cyano-1H-indole-5-carboxylate
CID 19603726
methyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate
CID 60718203
methyl 3-[1-[2-[(5-ethoxy-6-methyl-2-pyridinyl)amino]-2-oxoacetyl]piperidin-4-yl]-1H-indole-5-carboxylate
CID 166273079
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 113087534
3-(1-methylpiperidin-4-yl)-1H-indole-5-carboxamide
CID 19987271
(1-hydroxycyclopentyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 110907109
cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087522
methyl 3-[1-(3-aminopropyl)piperidin-4-yl]-1H-indole-6-carboxylate
CID 22909425
methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate
CID 91660760
(3,4-dimethoxyphenyl)-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087390
1-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 37435722
(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126767282

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(1-cyanocyclopentanecarbonyl)piperidin-4-yl]-1H-indole-5-carboxylate?
The IUPAC name of methyl 3-[1-(1-cyanocyclopentanecarbonyl)piperidin-4-yl]-1H-indole-5-carboxylate (CID 166255803) is methyl 3-[1-(1-cyanocyclopentanecarbonyl)piperidin-4-yl]-1H-indole-5-carboxylate.
What is the SMILES notation for methyl 3-[1-(1-cyanocyclopentanecarbonyl)piperidin-4-yl]-1H-indole-5-carboxylate?
The canonical SMILES for methyl 3-[1-(1-cyanocyclopentanecarbonyl)piperidin-4-yl]-1H-indole-5-carboxylate is COC(=O)c1ccc2[nH]cc(C3CCN(C(=O)C4(C#N)CCCC4)CC3)c2c1.
What is the InChIKey of methyl 3-[1-(1-cyanocyclopentanecarbonyl)piperidin-4-yl]-1H-indole-5-carboxylate?
The InChIKey is ZVADOOJWTKCQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-28-20(26)16-4-5-19-17(12-16)18(13-24-19)15-6-10-25(11-7-15)21(27)22(14-23)8-2-3-9-22/h4-5,12-13,15,24H,2-3,6-11H2,1H3.
What are the key properties of methyl 3-[1-(1-cyanocyclopentanecarbonyl)piperidin-4-yl]-1H-indole-5-carboxylate?
methyl 3-[1-(1-cyanocyclopentanecarbonyl)piperidin-4-yl]-1H-indole-5-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(1-cyanocyclopentanecarbonyl)piperidin-4-yl]-1H-indole-5-carboxylate is sourced from PubChem (CID 166255803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).