1-(4-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide

C25H31N3O2 — CID 20801223

IUPAC1-(4-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
SMILESCOc1ccc(-n2c(C(=O)NCC3CCN(C(C)C)CC3)cc3ccccc32)cc1
InChIInChI=1S/C25H31N3O2/c1-18(2)27-14-12-19(13-15-27)17-26-25(29)24-16-20-6-4-5-7-23(20)28(24)21-8-10-22(30-3)11-9-21/h4-11,16,18-19H,12-15,17H2,1-3H3,(H,26,29)
InChIKeyPQCZBXVMLWISHM-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.49
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide

1-(4-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide (PubChem CID 20801223) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
PubChem CID20801223
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name1-(4-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
SMILESCOc1ccc(-n2c(C(=O)NCC3CCN(C(C)C)CC3)cc3ccccc32)cc1
InChIInChI=1S/C25H31N3O2/c1-18(2)27-14-12-19(13-15-27)17-26-25(29)24-16-20-6-4-5-7-23(20)28(24)21-8-10-22(30-3)11-9-21/h4-11,16,18-19H,12-15,17H2,1-3H3,(H,26,29)
InChIKeyPQCZBXVMLWISHM-UHFFFAOYSA-N
XLogP4.49
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide (CID 20801223) is 1-(4-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide is COc1ccc(-n2c(C(=O)NCC3CCN(C(C)C)CC3)cc3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide?
The InChIKey is PQCZBXVMLWISHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-18(2)27-14-12-19(13-15-27)17-26-25(29)24-16-20-6-4-5-7-23(20)28(24)21-8-10-22(30-3)11-9-21/h4-11,16,18-19H,12-15,17H2,1-3H3,(H,26,29).
What are the key properties of 1-(4-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide?
1-(4-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide is sourced from PubChem (CID 20801223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).