N-(1-cyanocyclopentyl)-2-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]acetamide

C23H30N4O — CID 87030920

IUPACN-(1-cyanocyclopentyl)-2-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]acetamide
SMILESCCc1cccc2c(C3CCN(CC(=O)NC4(C#N)CCCC4)CC3)c[nH]c12
InChIInChI=1S/C23H30N4O/c1-2-17-6-5-7-19-20(14-25-22(17)19)18-8-12-27(13-9-18)15-21(28)26-23(16-24)10-3-4-11-23/h5-7,14,18,25H,2-4,8-13,15H2,1H3,(H,26,28)
InChIKeyHUAOWQGYFVLKJE-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.86
Rot. Bonds5

About N-(1-cyanocyclopentyl)-2-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]acetamide

N-(1-cyanocyclopentyl)-2-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]acetamide (PubChem CID 87030920) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]acetamide
PubChem CID87030920
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-(1-cyanocyclopentyl)-2-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]acetamide
SMILESCCc1cccc2c(C3CCN(CC(=O)NC4(C#N)CCCC4)CC3)c[nH]c12
InChIInChI=1S/C23H30N4O/c1-2-17-6-5-7-19-20(14-25-22(17)19)18-8-12-27(13-9-18)15-21(28)26-23(16-24)10-3-4-11-23/h5-7,14,18,25H,2-4,8-13,15H2,1H3,(H,26,28)
InChIKeyHUAOWQGYFVLKJE-UHFFFAOYSA-N
XLogP3.86
TPSA71.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]acetamide (CID 87030920) is N-(1-cyanocyclopentyl)-2-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]acetamide is CCc1cccc2c(C3CCN(CC(=O)NC4(C#N)CCCC4)CC3)c[nH]c12.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]acetamide?
The InChIKey is HUAOWQGYFVLKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-2-17-6-5-7-19-20(14-25-22(17)19)18-8-12-27(13-9-18)15-21(28)26-23(16-24)10-3-4-11-23/h5-7,14,18,25H,2-4,8-13,15H2,1H3,(H,26,28).
What are the key properties of N-(1-cyanocyclopentyl)-2-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]acetamide?
N-(1-cyanocyclopentyl)-2-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]acetamide has a molecular weight of 378.52 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 87030920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).