imidazol-1-yl 4-piperidin-1-ylbutanoate

C12H19N3O2 — CID 174984921

IUPACimidazol-1-yl 4-piperidin-1-ylbutanoate
SMILESO=C(CCCN1CCCCC1)On1ccnc1
InChIInChI=1S/C12H19N3O2/c16-12(17-15-10-6-13-11-15)5-4-9-14-7-2-1-3-8-14/h6,10-11H,1-5,7-9H2
InChIKeyUSMDSACRKQOBSV-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.10
Rot. Bonds5

About imidazol-1-yl 4-piperidin-1-ylbutanoate

imidazol-1-yl 4-piperidin-1-ylbutanoate (PubChem CID 174984921) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is imidazol-1-yl 4-piperidin-1-ylbutanoate.

Molecular Properties

Compound Nameimidazol-1-yl 4-piperidin-1-ylbutanoate
PubChem CID174984921
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nameimidazol-1-yl 4-piperidin-1-ylbutanoate
SMILESO=C(CCCN1CCCCC1)On1ccnc1
InChIInChI=1S/C12H19N3O2/c16-12(17-15-10-6-13-11-15)5-4-9-14-7-2-1-3-8-14/h6,10-11H,1-5,7-9H2
InChIKeyUSMDSACRKQOBSV-UHFFFAOYSA-N
XLogP1.10
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

imidazol-1-yl 2-piperidin-1-ylethyl carbonate
CID 174985112
imidazol-1-yl tetradecanoate
CID 175546759
imidazol-1-yl hexanoate;iron
CID 175419360
imidazol-1-yl heptanoate
CID 175410491
methyl 4-(azocan-1-yl)butanoate
CID 43377737
imidazol-1-yl (Z)-octadec-9-enoate
CID 141294503
N-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide
CID 81258075
ethyl 4-piperidin-1-ylbutanoate
CID 14044356
imidazol-1-yl but-3-enoate
CID 174567712
4-imidazol-1-yloxybutanoic acid
CID 175506459
1-(2-pyrrolidin-1-ylethyl)imidazole
CID 19964498
2-imidazol-1-yl-N-(2-piperidin-1-ylethyl)acetamide
CID 139978601

Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl 4-piperidin-1-ylbutanoate?
The IUPAC name of imidazol-1-yl 4-piperidin-1-ylbutanoate (CID 174984921) is imidazol-1-yl 4-piperidin-1-ylbutanoate.
What is the SMILES notation for imidazol-1-yl 4-piperidin-1-ylbutanoate?
The canonical SMILES for imidazol-1-yl 4-piperidin-1-ylbutanoate is O=C(CCCN1CCCCC1)On1ccnc1.
What is the InChIKey of imidazol-1-yl 4-piperidin-1-ylbutanoate?
The InChIKey is USMDSACRKQOBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-12(17-15-10-6-13-11-15)5-4-9-14-7-2-1-3-8-14/h6,10-11H,1-5,7-9H2.
What are the key properties of imidazol-1-yl 4-piperidin-1-ylbutanoate?
imidazol-1-yl 4-piperidin-1-ylbutanoate has a molecular weight of 237.30 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl 4-piperidin-1-ylbutanoate is sourced from PubChem (CID 174984921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).