formic acid;1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone

C13H19N7O3 — CID 154908443

IUPACformic acid;1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCC(Cn2ccnc2)CC1.O=CO
InChIInChI=1S/C12H17N7O.CH2O2/c20-12(8-19-10-14-15-16-19)18-4-1-11(2-5-18)7-17-6-3-13-9-17;2-1-3/h3,6,9-11H,1-2,4-5,7-8H2;1H,(H,2,3)
InChIKeyHVBNACGBCRFQLI-UHFFFAOYSA-N
MW321.34 g/mol
LogP-0.49
Rot. Bonds4

About formic acid;1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone

formic acid;1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 154908443) has the molecular formula C13H19N7O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is formic acid;1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Nameformic acid;1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID154908443
Molecular FormulaC13H19N7O3
Molecular Weight321.34 g/mol
Exact Mass321.15
IUPAC Nameformic acid;1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCC(Cn2ccnc2)CC1.O=CO
InChIInChI=1S/C12H17N7O.CH2O2/c20-12(8-19-10-14-15-16-19)18-4-1-11(2-5-18)7-17-6-3-13-9-17;2-1-3/h3,6,9-11H,1-2,4-5,7-8H2;1H,(H,2,3)
InChIKeyHVBNACGBCRFQLI-UHFFFAOYSA-N
XLogP-0.49
TPSA119.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 90492630
1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 90492612
methyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate
CID 139900806
1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 90493183
1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone
CID 126437249
formic acid;1-[3-[[5-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 171329697
2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid
CID 55105139
1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 63259244
N-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 90492606
1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 81458198
1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 52992527
(E)-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 90493176

Frequently Asked Questions

What is the IUPAC name of formic acid;1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of formic acid;1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 154908443) is formic acid;1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for formic acid;1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for formic acid;1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone is O=C(Cn1cnnn1)N1CCC(Cn2ccnc2)CC1.O=CO.
What is the InChIKey of formic acid;1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is HVBNACGBCRFQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O.CH2O2/c20-12(8-19-10-14-15-16-19)18-4-1-11(2-5-18)7-17-6-3-13-9-17;2-1-3/h3,6,9-11H,1-2,4-5,7-8H2;1H,(H,2,3).
What are the key properties of formic acid;1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
formic acid;1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 321.34 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 154908443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).