N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1H-indole-2-carboxamide

C27H27N3O2 — CID 118063329

IUPACN-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1H-indole-2-carboxamide
SMILESCN1CCC(Oc2ccc(-c3ccc(NC(=O)c4cc5ccccc5[nH]4)cc3)cc2)CC1
InChIInChI=1S/C27H27N3O2/c1-30-16-14-24(15-17-30)32-23-12-8-20(9-13-23)19-6-10-22(11-7-19)28-27(31)26-18-21-4-2-3-5-25(21)29-26/h2-13,18,24,29H,14-17H2,1H3,(H,28,31)
InChIKeyHEAZYVFJFRDIDP-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.56
Rot. Bonds5

About N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1H-indole-2-carboxamide

N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1H-indole-2-carboxamide (PubChem CID 118063329) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1H-indole-2-carboxamide
PubChem CID118063329
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC NameN-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1H-indole-2-carboxamide
SMILESCN1CCC(Oc2ccc(-c3ccc(NC(=O)c4cc5ccccc5[nH]4)cc3)cc2)CC1
InChIInChI=1S/C27H27N3O2/c1-30-16-14-24(15-17-30)32-23-12-8-20(9-13-23)19-6-10-22(11-7-19)28-27(31)26-18-21-4-2-3-5-25(21)29-26/h2-13,18,24,29H,14-17H2,1H3,(H,28,31)
InChIKeyHEAZYVFJFRDIDP-UHFFFAOYSA-N
XLogP5.56
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1H-indole-2-carboxamide (CID 118063329) is N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1H-indole-2-carboxamide is CN1CCC(Oc2ccc(-c3ccc(NC(=O)c4cc5ccccc5[nH]4)cc3)cc2)CC1.
What is the InChIKey of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1H-indole-2-carboxamide?
The InChIKey is HEAZYVFJFRDIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-30-16-14-24(15-17-30)32-23-12-8-20(9-13-23)19-6-10-22(11-7-19)28-27(31)26-18-21-4-2-3-5-25(21)29-26/h2-13,18,24,29H,14-17H2,1H3,(H,28,31).
What are the key properties of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1H-indole-2-carboxamide?
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1H-indole-2-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 118063329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).