1-[5-(1H-indol-6-yl)naphthalene-1-carbonyl]-3-methylpiperidine-3-carboxamide

C26H25N3O2 — CID 175642708

IUPAC1-[5-(1H-indol-6-yl)naphthalene-1-carbonyl]-3-methylpiperidine-3-carboxamide
SMILESCC1(C(N)=O)CCCN(C(=O)c2cccc3c(-c4ccc5cc[nH]c5c4)cccc23)C1
InChIInChI=1S/C26H25N3O2/c1-26(25(27)31)12-4-14-29(16-26)24(30)22-8-3-6-20-19(5-2-7-21(20)22)18-10-9-17-11-13-28-23(17)15-18/h2-3,5-11,13,15,28H,4,12,14,16H2,1H3,(H2,27,31)
InChIKeyDCCKFYVGUPJAJY-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.72
Rot. Bonds3

About 1-[5-(1H-indol-6-yl)naphthalene-1-carbonyl]-3-methylpiperidine-3-carboxamide

1-[5-(1H-indol-6-yl)naphthalene-1-carbonyl]-3-methylpiperidine-3-carboxamide (PubChem CID 175642708) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-[5-(1H-indol-6-yl)naphthalene-1-carbonyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-(1H-indol-6-yl)naphthalene-1-carbonyl]-3-methylpiperidine-3-carboxamide
PubChem CID175642708
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name1-[5-(1H-indol-6-yl)naphthalene-1-carbonyl]-3-methylpiperidine-3-carboxamide
SMILESCC1(C(N)=O)CCCN(C(=O)c2cccc3c(-c4ccc5cc[nH]c5c4)cccc23)C1
InChIInChI=1S/C26H25N3O2/c1-26(25(27)31)12-4-14-29(16-26)24(30)22-8-3-6-20-19(5-2-7-21(20)22)18-10-9-17-11-13-28-23(17)15-18/h2-3,5-11,13,15,28H,4,12,14,16H2,1H3,(H2,27,31)
InChIKeyDCCKFYVGUPJAJY-UHFFFAOYSA-N
XLogP4.72
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1H-indol-6-yl)naphthalene-1-carbonyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[5-(1H-indol-6-yl)naphthalene-1-carbonyl]-3-methylpiperidine-3-carboxamide (CID 175642708) is 1-[5-(1H-indol-6-yl)naphthalene-1-carbonyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[5-(1H-indol-6-yl)naphthalene-1-carbonyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[5-(1H-indol-6-yl)naphthalene-1-carbonyl]-3-methylpiperidine-3-carboxamide is CC1(C(N)=O)CCCN(C(=O)c2cccc3c(-c4ccc5cc[nH]c5c4)cccc23)C1.
What is the InChIKey of 1-[5-(1H-indol-6-yl)naphthalene-1-carbonyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is DCCKFYVGUPJAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-26(25(27)31)12-4-14-29(16-26)24(30)22-8-3-6-20-19(5-2-7-21(20)22)18-10-9-17-11-13-28-23(17)15-18/h2-3,5-11,13,15,28H,4,12,14,16H2,1H3,(H2,27,31).
What are the key properties of 1-[5-(1H-indol-6-yl)naphthalene-1-carbonyl]-3-methylpiperidine-3-carboxamide?
1-[5-(1H-indol-6-yl)naphthalene-1-carbonyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1H-indol-6-yl)naphthalene-1-carbonyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 175642708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).