1-(3-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

C24H29N3O2 — CID 20801212

IUPAC1-(3-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCOc1cccc(-n2c(C(=O)NC3CCN(C(C)C)CC3)cc3ccccc32)c1
InChIInChI=1S/C24H29N3O2/c1-17(2)26-13-11-19(12-14-26)25-24(28)23-15-18-7-4-5-10-22(18)27(23)20-8-6-9-21(16-20)29-3/h4-10,15-17,19H,11-14H2,1-3H3,(H,25,28)
InChIKeyBVSIBCJUGIVAKQ-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.24
Rot. Bonds5

About 1-(3-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

1-(3-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (PubChem CID 20801212) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
PubChem CID20801212
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-(3-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCOc1cccc(-n2c(C(=O)NC3CCN(C(C)C)CC3)cc3ccccc32)c1
InChIInChI=1S/C24H29N3O2/c1-17(2)26-13-11-19(12-14-26)25-24(28)23-15-18-7-4-5-10-22(18)27(23)20-8-6-9-21(16-20)29-3/h4-10,15-17,19H,11-14H2,1-3H3,(H,25,28)
InChIKeyBVSIBCJUGIVAKQ-UHFFFAOYSA-N
XLogP4.24
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Bis(1H-2-indolyl)methanone 12
CID 5330528
1,2,3,4-Tetrahydro pyrido[3,4-b]indole 29
CID 6539944
2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-4-methoxy-1H-indol-2-yl}formamido)methyl]-N,N,N-trimethylanilinium
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1-[(3-carbamimidoylphenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-1H-indole-2-carboxamide
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Carbazole-3-carboxamide analog 1
CID 46871948

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (CID 20801212) is 1-(3-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is COc1cccc(-n2c(C(=O)NC3CCN(C(C)C)CC3)cc3ccccc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The InChIKey is BVSIBCJUGIVAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-17(2)26-13-11-19(12-14-26)25-24(28)23-15-18-7-4-5-10-22(18)27(23)20-8-6-9-21(16-20)29-3/h4-10,15-17,19H,11-14H2,1-3H3,(H,25,28).
What are the key properties of 1-(3-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
1-(3-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is sourced from PubChem (CID 20801212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).