N-(2,5-dimethoxyphenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide

C24H27N3O4 — CID 42649593

IUPACN-(2,5-dimethoxyphenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)c1
InChIInChI=1S/C24H27N3O4/c1-30-18-9-10-22(31-2)21(13-18)26-24(29)16-6-5-11-27(15-16)23(28)12-17-14-25-20-8-4-3-7-19(17)20/h3-4,7-10,13-14,16,25H,5-6,11-12,15H2,1-2H3,(H,26,29)
InChIKeyJQRNXEIYXFQOCG-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.60
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide

N-(2,5-dimethoxyphenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide (PubChem CID 42649593) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
PubChem CID42649593
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-(2,5-dimethoxyphenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)c1
InChIInChI=1S/C24H27N3O4/c1-30-18-9-10-22(31-2)21(13-18)26-24(29)16-6-5-11-27(15-16)23(28)12-17-14-25-20-8-4-3-7-19(17)20/h3-4,7-10,13-14,16,25H,5-6,11-12,15H2,1-2H3,(H,26,29)
InChIKeyJQRNXEIYXFQOCG-UHFFFAOYSA-N
XLogP3.60
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 41111619
N-(2,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47986267
(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462
1-[2-(1H-indol-3-yl)acetyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007464
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
1-[2-(4-fluorophenyl)acetyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 55738275
(3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 40899994
1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 110394484
(3R)-N-(2-fluorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
CID 41111390
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55608281
1-(1H-benzimidazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 46359196
N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47987007

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide (CID 42649593) is N-(2,5-dimethoxyphenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide is COc1ccc(OC)c(NC(=O)C2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is JQRNXEIYXFQOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-30-18-9-10-22(31-2)21(13-18)26-24(29)16-6-5-11-27(15-16)23(28)12-17-14-25-20-8-4-3-7-19(17)20/h3-4,7-10,13-14,16,25H,5-6,11-12,15H2,1-2H3,(H,26,29).
What are the key properties of N-(2,5-dimethoxyphenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide?
N-(2,5-dimethoxyphenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 42649593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).