ethyl 4-[2-(propan-2-ylamino)imidazol-1-yl]piperidine-1-carboxylate

C14H24N4O2 — CID 106560654

IUPACethyl 4-[2-(propan-2-ylamino)imidazol-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2ccnc2NC(C)C)CC1
InChIInChI=1S/C14H24N4O2/c1-4-20-14(19)17-8-5-12(6-9-17)18-10-7-15-13(18)16-11(2)3/h7,10-12H,4-6,8-9H2,1-3H3,(H,15,16)
InChIKeyKKPXXVLAISHVIB-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.50
Rot. Bonds4

About ethyl 4-[2-(propan-2-ylamino)imidazol-1-yl]piperidine-1-carboxylate

ethyl 4-[2-(propan-2-ylamino)imidazol-1-yl]piperidine-1-carboxylate (PubChem CID 106560654) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 4-[2-(propan-2-ylamino)imidazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(propan-2-ylamino)imidazol-1-yl]piperidine-1-carboxylate
PubChem CID106560654
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nameethyl 4-[2-(propan-2-ylamino)imidazol-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2ccnc2NC(C)C)CC1
InChIInChI=1S/C14H24N4O2/c1-4-20-14(19)17-8-5-12(6-9-17)18-10-7-15-13(18)16-11(2)3/h7,10-12H,4-6,8-9H2,1-3H3,(H,15,16)
InChIKeyKKPXXVLAISHVIB-UHFFFAOYSA-N
XLogP2.50
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

butyl 4-(2-methylimidazol-1-yl)piperidine-1-carboxylate
CID 68589502
ethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109179694
ethyl 4-[2-(cyclopropylamino)-4-methylimidazol-1-yl]piperidine-1-carboxylate
CID 106560676
1-(3,4-dimethylcyclohexyl)-N-propan-2-ylimidazol-2-amine
CID 106574581
tert-butyl 4-(2-propan-2-ylimidazol-1-yl)piperidine-1-carboxylate
CID 23084185
ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate
CID 62938971
1-cyclohexyl-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561711
2-N-(1-cyclopropylimidazol-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 106566129
ethyl 4-(4-pyrimidin-2-ylpiperidin-1-yl)azepane-1-carboxylate
CID 78318381
ethyl 4-[2-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109295181
ethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 125445579
2-methylpropyl 4-(2,4-dimethylimidazol-1-yl)piperidine-1-carboxylate
CID 142773337

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(propan-2-ylamino)imidazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(propan-2-ylamino)imidazol-1-yl]piperidine-1-carboxylate (CID 106560654) is ethyl 4-[2-(propan-2-ylamino)imidazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(propan-2-ylamino)imidazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(propan-2-ylamino)imidazol-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(n2ccnc2NC(C)C)CC1.
What is the InChIKey of ethyl 4-[2-(propan-2-ylamino)imidazol-1-yl]piperidine-1-carboxylate?
The InChIKey is KKPXXVLAISHVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-20-14(19)17-8-5-12(6-9-17)18-10-7-15-13(18)16-11(2)3/h7,10-12H,4-6,8-9H2,1-3H3,(H,15,16).
What are the key properties of ethyl 4-[2-(propan-2-ylamino)imidazol-1-yl]piperidine-1-carboxylate?
ethyl 4-[2-(propan-2-ylamino)imidazol-1-yl]piperidine-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(propan-2-ylamino)imidazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 106560654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).