ethyl 4-[(2,4-dimethyl-1H-indole-3-carbonyl)amino]piperidine-1-carboxylate

C19H25N3O3 — CID 110853878

IUPACethyl 4-[(2,4-dimethyl-1H-indole-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2c(C)[nH]c3cccc(C)c23)CC1
InChIInChI=1S/C19H25N3O3/c1-4-25-19(24)22-10-8-14(9-11-22)21-18(23)17-13(3)20-15-7-5-6-12(2)16(15)17/h5-7,14,20H,4,8-11H2,1-3H3,(H,21,23)
InChIKeyHJIYJKHKZFQFDG-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.14
Rot. Bonds3

About ethyl 4-[(2,4-dimethyl-1H-indole-3-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(2,4-dimethyl-1H-indole-3-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 110853878) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is ethyl 4-[(2,4-dimethyl-1H-indole-3-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2,4-dimethyl-1H-indole-3-carbonyl)amino]piperidine-1-carboxylate
PubChem CID110853878
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Nameethyl 4-[(2,4-dimethyl-1H-indole-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2c(C)[nH]c3cccc(C)c23)CC1
InChIInChI=1S/C19H25N3O3/c1-4-25-19(24)22-10-8-14(9-11-22)21-18(23)17-13(3)20-15-7-5-6-12(2)16(15)17/h5-7,14,20H,4,8-11H2,1-3H3,(H,21,23)
InChIKeyHJIYJKHKZFQFDG-UHFFFAOYSA-N
XLogP3.14
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110451817
ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate
CID 110451816
ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109093479
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
ethyl 4-[[3-(2-ethyl-6-methylanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
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ethyl 4-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]amino]piperidine-1-carboxylate
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CID 31542192

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,4-dimethyl-1H-indole-3-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2,4-dimethyl-1H-indole-3-carbonyl)amino]piperidine-1-carboxylate (CID 110853878) is ethyl 4-[(2,4-dimethyl-1H-indole-3-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2,4-dimethyl-1H-indole-3-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2,4-dimethyl-1H-indole-3-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2c(C)[nH]c3cccc(C)c23)CC1.
What is the InChIKey of ethyl 4-[(2,4-dimethyl-1H-indole-3-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is HJIYJKHKZFQFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-25-19(24)22-10-8-14(9-11-22)21-18(23)17-13(3)20-15-7-5-6-12(2)16(15)17/h5-7,14,20H,4,8-11H2,1-3H3,(H,21,23).
What are the key properties of ethyl 4-[(2,4-dimethyl-1H-indole-3-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2,4-dimethyl-1H-indole-3-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,4-dimethyl-1H-indole-3-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 110853878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).