N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide

C24H32ClN3O2 — CID 50768071

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(C(=O)C2CCCCC2)CC1)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C24H32ClN3O2/c25-20-6-7-22-21(15-20)19(16-27-22)8-11-26-23(29)14-17-9-12-28(13-10-17)24(30)18-4-2-1-3-5-18/h6-7,15-18,27H,1-5,8-14H2,(H,26,29)
InChIKeyZPBLNOPZTDUSBP-UHFFFAOYSA-N
MW429.99 g/mol
LogP4.69
Rot. Bonds6

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide (PubChem CID 50768071) has the molecular formula C24H32ClN3O2 and a molecular weight of 429.99 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
PubChem CID50768071
Molecular FormulaC24H32ClN3O2
Molecular Weight429.99 g/mol
Exact Mass429.22
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(C(=O)C2CCCCC2)CC1)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C24H32ClN3O2/c25-20-6-7-22-21(15-20)19(16-27-22)8-11-26-23(29)14-17-9-12-28(13-10-17)24(30)18-4-2-1-3-5-18/h6-7,15-18,27H,1-5,8-14H2,(H,26,29)
InChIKeyZPBLNOPZTDUSBP-UHFFFAOYSA-N
XLogP4.69
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.99
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide (CID 50768071) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide is O=C(CC1CCN(C(=O)C2CCCCC2)CC1)NCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide?
The InChIKey is ZPBLNOPZTDUSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O2/c25-20-6-7-22-21(15-20)19(16-27-22)8-11-26-23(29)14-17-9-12-28(13-10-17)24(30)18-4-2-1-3-5-18/h6-7,15-18,27H,1-5,8-14H2,(H,26,29).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide has a molecular weight of 429.99 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 50768071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).