1-[2-(4-methylanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

C26H32N4O2 — CID 102481210

IUPAC1-[2-(4-methylanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCc1ccc(NC(=O)Cn2c(C(=O)NC3CCN(C(C)C)CC3)cc3ccccc32)cc1
InChIInChI=1S/C26H32N4O2/c1-18(2)29-14-12-22(13-15-29)28-26(32)24-16-20-6-4-5-7-23(20)30(24)17-25(31)27-21-10-8-19(3)9-11-21/h4-11,16,18,22H,12-15,17H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyLWOAJWBDJIQDET-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.19
Rot. Bonds6

About 1-[2-(4-methylanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

1-[2-(4-methylanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (PubChem CID 102481210) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 1-[2-(4-methylanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methylanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
PubChem CID102481210
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name1-[2-(4-methylanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCc1ccc(NC(=O)Cn2c(C(=O)NC3CCN(C(C)C)CC3)cc3ccccc32)cc1
InChIInChI=1S/C26H32N4O2/c1-18(2)29-14-12-22(13-15-29)28-26(32)24-16-20-6-4-5-7-23(20)30(24)17-25(31)27-21-10-8-19(3)9-11-21/h4-11,16,18,22H,12-15,17H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyLWOAJWBDJIQDET-UHFFFAOYSA-N
XLogP4.19
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The IUPAC name of 1-[2-(4-methylanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (CID 102481210) is 1-[2-(4-methylanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[2-(4-methylanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The canonical SMILES for 1-[2-(4-methylanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is Cc1ccc(NC(=O)Cn2c(C(=O)NC3CCN(C(C)C)CC3)cc3ccccc32)cc1.
What is the InChIKey of 1-[2-(4-methylanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The InChIKey is LWOAJWBDJIQDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-18(2)29-14-12-22(13-15-29)28-26(32)24-16-20-6-4-5-7-23(20)30(24)17-25(31)27-21-10-8-19(3)9-11-21/h4-11,16,18,22H,12-15,17H2,1-3H3,(H,27,31)(H,28,32).
What are the key properties of 1-[2-(4-methylanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
1-[2-(4-methylanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is sourced from PubChem (CID 102481210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).