ethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate

C11H18N4O2 — CID 43776811

IUPACethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cn[nH]c2)CC1
InChIInChI=1S/C11H18N4O2/c1-2-17-11(16)15-5-3-9(4-6-15)14-10-7-12-13-8-10/h7-9,14H,2-6H2,1H3,(H,12,13)
InChIKeyISSLTKQPYCFSLM-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.44
Rot. Bonds3

About ethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate

ethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate (PubChem CID 43776811) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate
PubChem CID43776811
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Nameethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cn[nH]c2)CC1
InChIInChI=1S/C11H18N4O2/c1-2-17-11(16)15-5-3-9(4-6-15)14-10-7-12-13-8-10/h7-9,14H,2-6H2,1H3,(H,12,13)
InChIKeyISSLTKQPYCFSLM-UHFFFAOYSA-N
XLogP1.44
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
ethyl 4-[4-(cyanomethyl)anilino]piperidine-1-carboxylate
CID 43786390
ethyl 4-[4-(methoxymethyl)anilino]piperidine-1-carboxylate
CID 119050059
ethyl 4-[4-(butanoylamino)anilino]piperidine-1-carboxylate
CID 112984321
ethyl 4-[[6-(cyclohexylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112856231
ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862849
ethyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 62482125
ethyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]piperidine-1-carboxylate
CID 112939342
ethyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109194102
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate (CID 43776811) is ethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cn[nH]c2)CC1.
What is the InChIKey of ethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate?
The InChIKey is ISSLTKQPYCFSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-17-11(16)15-5-3-9(4-6-15)14-10-7-12-13-8-10/h7-9,14H,2-6H2,1H3,(H,12,13).
What are the key properties of ethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate?
ethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 43776811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).