1-[1-[2-(2-acetyl-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide

C25H29N3O3 — CID 59727875

IUPAC1-[1-[2-(2-acetyl-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1cccc(C(C)=O)c1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C25H29N3O3/c1-17(29)21-4-3-5-24(31-2)22(21)11-14-27-12-9-20(10-13-27)28-15-8-18-6-7-19(25(26)30)16-23(18)28/h3-8,15-16,20H,9-14H2,1-2H3,(H2,26,30)
InChIKeyAHKBNKOKQWMQQW-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.83
Rot. Bonds7

About 1-[1-[2-(2-acetyl-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide

1-[1-[2-(2-acetyl-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 59727875) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-[1-[2-(2-acetyl-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(2-acetyl-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
PubChem CID59727875
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name1-[1-[2-(2-acetyl-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1cccc(C(C)=O)c1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C25H29N3O3/c1-17(29)21-4-3-5-24(31-2)22(21)11-14-27-12-9-20(10-13-27)28-15-8-18-6-7-19(25(26)30)16-23(18)28/h3-8,15-16,20H,9-14H2,1-2H3,(H2,26,30)
InChIKeyAHKBNKOKQWMQQW-UHFFFAOYSA-N
XLogP3.83
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-[2-methoxy-6-(2-methoxyphenyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727851
1-[1-[2-(2-methoxy-6-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727790
1-[1-[2-(2,4-dimethoxy-3-pyridinyl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727853
1-[1-[2-(2-hydroxy-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-6-(2-methylpropoxy)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
CID 158429681
1-[1-[2-(5-methoxy-1-oxo-2,3-dihydroinden-4-yl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 11683433
1-[1-[2-(5-methoxy-2-oxo-1,3-dihydroinden-4-yl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 58970097
1-[1-[2-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 11626189
1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727765
1-[1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727867
1-[1-[2-[5,7-dimethoxy-1-(methoxyamino)-3H-inden-4-yl]ethyl]piperidin-4-yl]indole-6-carboxamide
CID 90972803
1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727869
ethane;1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 143271947

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-acetyl-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The IUPAC name of 1-[1-[2-(2-acetyl-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide (CID 59727875) is 1-[1-[2-(2-acetyl-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide.
What is the SMILES notation for 1-[1-[2-(2-acetyl-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The canonical SMILES for 1-[1-[2-(2-acetyl-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide is COc1cccc(C(C)=O)c1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.
What is the InChIKey of 1-[1-[2-(2-acetyl-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The InChIKey is AHKBNKOKQWMQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-17(29)21-4-3-5-24(31-2)22(21)11-14-27-12-9-20(10-13-27)28-15-8-18-6-7-19(25(26)30)16-23(18)28/h3-8,15-16,20H,9-14H2,1-2H3,(H2,26,30).
What are the key properties of 1-[1-[2-(2-acetyl-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
1-[1-[2-(2-acetyl-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-acetyl-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 59727875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).