N-(2,4-dimethoxyphenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide

C23H25N3O4 — CID 42649283

IUPACN-(2,4-dimethoxyphenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)c(OC)c1
InChIInChI=1S/C23H25N3O4/c1-29-17-9-10-19(21(13-17)30-2)25-22(27)16-7-5-11-26(14-16)23(28)20-12-15-6-3-4-8-18(15)24-20/h3-4,6,8-10,12-13,16,24H,5,7,11,14H2,1-2H3,(H,25,27)
InChIKeyZODCYUCJIRIUAO-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.68
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide

N-(2,4-dimethoxyphenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide (PubChem CID 42649283) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide
PubChem CID42649283
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-(2,4-dimethoxyphenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)c(OC)c1
InChIInChI=1S/C23H25N3O4/c1-29-17-9-10-19(21(13-17)30-2)25-22(27)16-7-5-11-26(14-16)23(28)20-12-15-6-3-4-8-18(15)24-20/h3-4,6,8-10,12-13,16,24H,5,7,11,14H2,1-2H3,(H,25,27)
InChIKeyZODCYUCJIRIUAO-UHFFFAOYSA-N
XLogP3.68
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 41129779
N-(3-acetamidophenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 42649922
methyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate
CID 42571173
N-(2,4-dimethoxyphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 50803885
N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47987007
(3S)-1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 26735004
N-(2,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 110860603
ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 29206160
(3S)-1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 7379045
N-(2,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47986267
1-(1H-benzimidazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 46359196
N-(2,5-dimethoxyphenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 42649593

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide (CID 42649283) is N-(2,4-dimethoxyphenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is ZODCYUCJIRIUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-29-17-9-10-19(21(13-17)30-2)25-22(27)16-7-5-11-26(14-16)23(28)20-12-15-6-3-4-8-18(15)24-20/h3-4,6,8-10,12-13,16,24H,5,7,11,14H2,1-2H3,(H,25,27).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide?
N-(2,4-dimethoxyphenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 42649283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).