butyl 4-(2-methylimidazol-1-yl)piperidine-1-carboxylate

C14H23N3O2 — CID 68589502

IUPACbutyl 4-(2-methylimidazol-1-yl)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(n2ccnc2C)CC1
InChIInChI=1S/C14H23N3O2/c1-3-4-11-19-14(18)16-8-5-13(6-9-16)17-10-7-15-12(17)2/h7,10,13H,3-6,8-9,11H2,1-2H3
InChIKeyMOSMDHSKGPBHRO-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.77
Rot. Bonds4

About butyl 4-(2-methylimidazol-1-yl)piperidine-1-carboxylate

butyl 4-(2-methylimidazol-1-yl)piperidine-1-carboxylate (PubChem CID 68589502) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is butyl 4-(2-methylimidazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-(2-methylimidazol-1-yl)piperidine-1-carboxylate
PubChem CID68589502
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namebutyl 4-(2-methylimidazol-1-yl)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(n2ccnc2C)CC1
InChIInChI=1S/C14H23N3O2/c1-3-4-11-19-14(18)16-8-5-13(6-9-16)17-10-7-15-12(17)2/h7,10,13H,3-6,8-9,11H2,1-2H3
InChIKeyMOSMDHSKGPBHRO-UHFFFAOYSA-N
XLogP2.77
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[2-(propan-2-ylamino)imidazol-1-yl]piperidine-1-carboxylate
CID 106560654
butyl aziridine-1-carboxylate
CID 12641
butyl 4-bromopiperidine-1-carboxylate
CID 21219163
butyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562444
butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 108562788
butyl 4-phenylpiperidine-1-carboxylate
CID 22918551
butyl 2-ethylimidazole-1-carboxylate
CID 154015301
butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 151751894
butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 70848391
butyl 4-(4-cyanopiperidin-1-yl)piperidine-1-carboxylate
CID 69057256
butyl 4-(4-aminophenyl)piperidine-1-carboxylate
CID 90886963
butyl 3-(4-aminopyrazol-1-yl)pyrrolidine-1-carboxylate
CID 67127585

Frequently Asked Questions

What is the IUPAC name of butyl 4-(2-methylimidazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of butyl 4-(2-methylimidazol-1-yl)piperidine-1-carboxylate (CID 68589502) is butyl 4-(2-methylimidazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-(2-methylimidazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for butyl 4-(2-methylimidazol-1-yl)piperidine-1-carboxylate is CCCCOC(=O)N1CCC(n2ccnc2C)CC1.
What is the InChIKey of butyl 4-(2-methylimidazol-1-yl)piperidine-1-carboxylate?
The InChIKey is MOSMDHSKGPBHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-4-11-19-14(18)16-8-5-13(6-9-16)17-10-7-15-12(17)2/h7,10,13H,3-6,8-9,11H2,1-2H3.
What are the key properties of butyl 4-(2-methylimidazol-1-yl)piperidine-1-carboxylate?
butyl 4-(2-methylimidazol-1-yl)piperidine-1-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(2-methylimidazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 68589502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).