ethyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]piperidine-1-carboxylate

C18H28N4O3 — CID 113029239

IUPACethyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(NC(=O)C(C)(C)C)nc2)CC1
InChIInChI=1S/C18H28N4O3/c1-5-25-17(24)22-10-8-13(9-11-22)20-14-6-7-15(19-12-14)21-16(23)18(2,3)4/h6-7,12-13,20H,5,8-11H2,1-4H3,(H,19,21,23)
InChIKeyCMQSYVUPKJIUOU-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.10
Rot. Bonds4

About ethyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]piperidine-1-carboxylate

ethyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 113029239) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is ethyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID113029239
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Nameethyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(NC(=O)C(C)(C)C)nc2)CC1
InChIInChI=1S/C18H28N4O3/c1-5-25-17(24)22-10-8-13(9-11-22)20-14-6-7-15(19-12-14)21-16(23)18(2,3)4/h6-7,12-13,20H,5,8-11H2,1-4H3,(H,19,21,23)
InChIKeyCMQSYVUPKJIUOU-UHFFFAOYSA-N
XLogP3.10
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[6-[(2-phenoxyacetyl)amino]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 113029257
ethyl 4-[[5-(oxane-4-carbonylamino)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 113014202
ethyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109194102
ethyl 4-[[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 113014186
ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 113014181
ethyl 4-[[6-[(2,6-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109194103
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949
ethyl 4-[6-(2,2-dimethylpropanoylamino)pyridazin-3-yl]piperazine-1-carboxylate
CID 113043573
ethyl 4-[[6-[(2,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109194100
ethyl 4-[4-(butanoylamino)anilino]piperidine-1-carboxylate
CID 112984321
ethyl 4-[[5-[(2-ethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109160203
ethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate
CID 43776811

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]piperidine-1-carboxylate (CID 113029239) is ethyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ccc(NC(=O)C(C)(C)C)nc2)CC1.
What is the InChIKey of ethyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is CMQSYVUPKJIUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-5-25-17(24)22-10-8-13(9-11-22)20-14-6-7-15(19-12-14)21-16(23)18(2,3)4/h6-7,12-13,20H,5,8-11H2,1-4H3,(H,19,21,23).
What are the key properties of ethyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]piperidine-1-carboxylate?
ethyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 348.45 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 113029239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).