2-methoxyethyl 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carboxylate

C16H25N3O3 — CID 70775664

IUPAC2-methoxyethyl 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carboxylate
SMILESCOCCOC(=O)N1CCC(c2nccn2CC2CC2)CC1
InChIInChI=1S/C16H25N3O3/c1-21-10-11-22-16(20)18-7-4-14(5-8-18)15-17-6-9-19(15)12-13-2-3-13/h6,9,13-14H,2-5,7-8,10-12H2,1H3
InChIKeyWFMHQHBWMQYNBN-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.26
Rot. Bonds6

About 2-methoxyethyl 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carboxylate

2-methoxyethyl 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carboxylate (PubChem CID 70775664) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-methoxyethyl 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carboxylate
PubChem CID70775664
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name2-methoxyethyl 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carboxylate
SMILESCOCCOC(=O)N1CCC(c2nccn2CC2CC2)CC1
InChIInChI=1S/C16H25N3O3/c1-21-10-11-22-16(20)18-7-4-14(5-8-18)15-17-6-9-19(15)12-13-2-3-13/h6,9,13-14H,2-5,7-8,10-12H2,1H3
InChIKeyWFMHQHBWMQYNBN-UHFFFAOYSA-N
XLogP2.26
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of 2-methoxyethyl 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carboxylate (CID 70775664) is 2-methoxyethyl 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for 2-methoxyethyl 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for 2-methoxyethyl 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carboxylate is COCCOC(=O)N1CCC(c2nccn2CC2CC2)CC1.
What is the InChIKey of 2-methoxyethyl 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carboxylate?
The InChIKey is WFMHQHBWMQYNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-21-10-11-22-16(20)18-7-4-14(5-8-18)15-17-6-9-19(15)12-13-2-3-13/h6,9,13-14H,2-5,7-8,10-12H2,1H3.
What are the key properties of 2-methoxyethyl 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carboxylate?
2-methoxyethyl 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 70775664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).