[1-(4-methoxyphenyl)indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate

C24H29N3O3 — CID 90309578

IUPAC[1-(4-methoxyphenyl)indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
SMILESCOc1ccc(-n2c(OC(=O)NC3CCN(C(C)C)CC3)cc3ccccc32)cc1
InChIInChI=1S/C24H29N3O3/c1-17(2)26-14-12-19(13-15-26)25-24(28)30-23-16-18-6-4-5-7-22(18)27(23)20-8-10-21(29-3)11-9-20/h4-11,16-17,19H,12-15H2,1-3H3,(H,25,28)
InChIKeyHQNVZEVSJKBMNB-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.60
Rot. Bonds5

About [1-(4-methoxyphenyl)indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate

[1-(4-methoxyphenyl)indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate (PubChem CID 90309578) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
PubChem CID90309578
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name[1-(4-methoxyphenyl)indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
SMILESCOc1ccc(-n2c(OC(=O)NC3CCN(C(C)C)CC3)cc3ccccc32)cc1
InChIInChI=1S/C24H29N3O3/c1-17(2)26-14-12-19(13-15-26)25-24(28)30-23-16-18-6-4-5-7-22(18)27(23)20-8-10-21(29-3)11-9-20/h4-11,16-17,19H,12-15H2,1-3H3,(H,25,28)
InChIKeyHQNVZEVSJKBMNB-UHFFFAOYSA-N
XLogP4.60
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?
The IUPAC name of [1-(4-methoxyphenyl)indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate (CID 90309578) is [1-(4-methoxyphenyl)indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate.
What is the SMILES notation for [1-(4-methoxyphenyl)indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?
The canonical SMILES for [1-(4-methoxyphenyl)indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate is COc1ccc(-n2c(OC(=O)NC3CCN(C(C)C)CC3)cc3ccccc32)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?
The InChIKey is HQNVZEVSJKBMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-17(2)26-14-12-19(13-15-26)25-24(28)30-23-16-18-6-4-5-7-22(18)27(23)20-8-10-21(29-3)11-9-20/h4-11,16-17,19H,12-15H2,1-3H3,(H,25,28).
What are the key properties of [1-(4-methoxyphenyl)indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?
[1-(4-methoxyphenyl)indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate has a molecular weight of 407.51 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate is sourced from PubChem (CID 90309578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).