ethyl 4-[2-(cyclopropylamino)-4-methylimidazol-1-yl]piperidine-1-carboxylate

C15H24N4O2 — CID 106560676

IUPACethyl 4-[2-(cyclopropylamino)-4-methylimidazol-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2cc(C)nc2NC2CC2)CC1
InChIInChI=1S/C15H24N4O2/c1-3-21-15(20)18-8-6-13(7-9-18)19-10-11(2)16-14(19)17-12-4-5-12/h10,12-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyWYRUNXCVYBXWCY-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.56
Rot. Bonds4

About ethyl 4-[2-(cyclopropylamino)-4-methylimidazol-1-yl]piperidine-1-carboxylate

ethyl 4-[2-(cyclopropylamino)-4-methylimidazol-1-yl]piperidine-1-carboxylate (PubChem CID 106560676) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 4-[2-(cyclopropylamino)-4-methylimidazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(cyclopropylamino)-4-methylimidazol-1-yl]piperidine-1-carboxylate
PubChem CID106560676
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nameethyl 4-[2-(cyclopropylamino)-4-methylimidazol-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2cc(C)nc2NC2CC2)CC1
InChIInChI=1S/C15H24N4O2/c1-3-21-15(20)18-8-6-13(7-9-18)19-10-11(2)16-14(19)17-12-4-5-12/h10,12-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyWYRUNXCVYBXWCY-UHFFFAOYSA-N
XLogP2.56
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl 4-(2,4-dimethylimidazol-1-yl)piperidine-1-carboxylate
CID 142773337
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
N-cyclobutyl-1-cyclopropyl-4-methylimidazol-2-amine
CID 106571424
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
ethyl 4-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-1-carboxylate
CID 103077884
ethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate
CID 43776811
ethyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 62482125
ethyl 4-[2-(propan-2-ylamino)imidazol-1-yl]piperidine-1-carboxylate
CID 106560654
ethyl 4-[[5-(cyclopropylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109247316
ethyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]piperidine-1-carboxylate
CID 112939342
ethyl 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate
CID 114448111
tert-butyl 4-[2-(2-hydroxypropan-2-yl)-4-methylimidazol-1-yl]piperidine-1-carboxylate
CID 69192840

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(cyclopropylamino)-4-methylimidazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(cyclopropylamino)-4-methylimidazol-1-yl]piperidine-1-carboxylate (CID 106560676) is ethyl 4-[2-(cyclopropylamino)-4-methylimidazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(cyclopropylamino)-4-methylimidazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(cyclopropylamino)-4-methylimidazol-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(n2cc(C)nc2NC2CC2)CC1.
What is the InChIKey of ethyl 4-[2-(cyclopropylamino)-4-methylimidazol-1-yl]piperidine-1-carboxylate?
The InChIKey is WYRUNXCVYBXWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-21-15(20)18-8-6-13(7-9-18)19-10-11(2)16-14(19)17-12-4-5-12/h10,12-13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of ethyl 4-[2-(cyclopropylamino)-4-methylimidazol-1-yl]piperidine-1-carboxylate?
ethyl 4-[2-(cyclopropylamino)-4-methylimidazol-1-yl]piperidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(cyclopropylamino)-4-methylimidazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 106560676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).