ethyl 4-[[5-(3-methylbutylcarbamoyl)-3-pyridinyl]amino]piperidine-1-carboxylate

C19H30N4O3 — CID 109238248

IUPACethyl 4-[[5-(3-methylbutylcarbamoyl)-3-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cncc(C(=O)NCCC(C)C)c2)CC1
InChIInChI=1S/C19H30N4O3/c1-4-26-19(25)23-9-6-16(7-10-23)22-17-11-15(12-20-13-17)18(24)21-8-5-14(2)3/h11-14,16,22H,4-10H2,1-3H3,(H,21,24)
InChIKeyWRWNXEMHSJQIDL-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.89
Rot. Bonds7

About ethyl 4-[[5-(3-methylbutylcarbamoyl)-3-pyridinyl]amino]piperidine-1-carboxylate

ethyl 4-[[5-(3-methylbutylcarbamoyl)-3-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 109238248) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is ethyl 4-[[5-(3-methylbutylcarbamoyl)-3-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-(3-methylbutylcarbamoyl)-3-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID109238248
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Nameethyl 4-[[5-(3-methylbutylcarbamoyl)-3-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cncc(C(=O)NCCC(C)C)c2)CC1
InChIInChI=1S/C19H30N4O3/c1-4-26-19(25)23-9-6-16(7-10-23)22-17-11-15(12-20-13-17)18(24)21-8-5-14(2)3/h11-14,16,22H,4-10H2,1-3H3,(H,21,24)
InChIKeyWRWNXEMHSJQIDL-UHFFFAOYSA-N
XLogP2.89
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109229132
ethyl 4-[[5-(2-methylpropylamino)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109224977
ethyl 4-[[5-[(3-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109232246
ethyl 4-[[4-methyl-6-(3-methylbutylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109331939
ethyl 4-[[5-(3,4-dimethylanilino)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109238228
5-(cyclopropylamino)-N-propylpyridine-3-carboxamide
CID 109222760
ethyl 4-[[5-(butan-2-ylcarbamoyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109102342
ethyl 4-[[5-[(2-methylphenyl)methylamino]pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109232111
5-(cyclopentylamino)-N-pentylpyridine-3-carboxamide
CID 109226139
ethyl 4-[5-(3-methylbutylcarbamoyl)-1,3-dioxoisoindol-2-yl]piperidine-1-carboxylate
CID 24761439
5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109107017
ethyl 4-[[5-(pyridin-2-ylmethylamino)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109235079

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(3-methylbutylcarbamoyl)-3-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-(3-methylbutylcarbamoyl)-3-pyridinyl]amino]piperidine-1-carboxylate (CID 109238248) is ethyl 4-[[5-(3-methylbutylcarbamoyl)-3-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-(3-methylbutylcarbamoyl)-3-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-(3-methylbutylcarbamoyl)-3-pyridinyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cncc(C(=O)NCCC(C)C)c2)CC1.
What is the InChIKey of ethyl 4-[[5-(3-methylbutylcarbamoyl)-3-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is WRWNXEMHSJQIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-4-26-19(25)23-9-6-16(7-10-23)22-17-11-15(12-20-13-17)18(24)21-8-5-14(2)3/h11-14,16,22H,4-10H2,1-3H3,(H,21,24).
What are the key properties of ethyl 4-[[5-(3-methylbutylcarbamoyl)-3-pyridinyl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-(3-methylbutylcarbamoyl)-3-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(3-methylbutylcarbamoyl)-3-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109238248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).