2-(ethylamino)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]acetamide

C27H42N4O — CID 134578342

IUPAC2-(ethylamino)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]acetamide
SMILESCCNCC(=O)NCc1cn(C2CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc12
InChIInChI=1S/C27H42N4O/c1-4-28-18-27(32)29-17-22-19-31(26-8-6-5-7-25(22)26)24-13-15-30(16-14-24)23-11-9-21(10-12-23)20(2)3/h5-8,19-21,23-24,28H,4,9-18H2,1-3H3,(H,29,32)
InChIKeyADBGQUWNDQPXSG-UHFFFAOYSA-N
MW438.66 g/mol
LogP4.72
Rot. Bonds8

About 2-(ethylamino)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]acetamide

2-(ethylamino)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]acetamide (PubChem CID 134578342) has the molecular formula C27H42N4O and a molecular weight of 438.66 g/mol. Its IUPAC name is 2-(ethylamino)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]acetamide
PubChem CID134578342
Molecular FormulaC27H42N4O
Molecular Weight438.66 g/mol
Exact Mass438.34
IUPAC Name2-(ethylamino)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]acetamide
SMILESCCNCC(=O)NCc1cn(C2CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc12
InChIInChI=1S/C27H42N4O/c1-4-28-18-27(32)29-17-22-19-31(26-8-6-5-7-25(22)26)24-13-15-30(16-14-24)23-11-9-21(10-12-23)20(2)3/h5-8,19-21,23-24,28H,4,9-18H2,1-3H3,(H,29,32)
InChIKeyADBGQUWNDQPXSG-UHFFFAOYSA-N
XLogP4.72
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.66
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]acetamide?
The IUPAC name of 2-(ethylamino)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]acetamide (CID 134578342) is 2-(ethylamino)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(ethylamino)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]acetamide?
The canonical SMILES for 2-(ethylamino)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]acetamide is CCNCC(=O)NCc1cn(C2CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc12.
What is the InChIKey of 2-(ethylamino)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]acetamide?
The InChIKey is ADBGQUWNDQPXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4O/c1-4-28-18-27(32)29-17-22-19-31(26-8-6-5-7-25(22)26)24-13-15-30(16-14-24)23-11-9-21(10-12-23)20(2)3/h5-8,19-21,23-24,28H,4,9-18H2,1-3H3,(H,29,32).
What are the key properties of 2-(ethylamino)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]acetamide?
2-(ethylamino)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]acetamide has a molecular weight of 438.66 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]acetamide is sourced from PubChem (CID 134578342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).