[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone

C16H28N8O — CID 78082796

IUPAC[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone
SMILESO=C(C1CNNC1n1cnnn1)N1CCCCC1CCN1CCCC1
InChIInChI=1S/C16H28N8O/c25-16(14-11-17-19-15(14)24-12-18-20-21-24)23-9-2-1-5-13(23)6-10-22-7-3-4-8-22/h12-15,17,19H,1-11H2
InChIKeyLSANJNAPXFGKDM-UHFFFAOYSA-N
MW348.46 g/mol
LogP-0.24
Rot. Bonds5

About [2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone

[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone (PubChem CID 78082796) has the molecular formula C16H28N8O and a molecular weight of 348.46 g/mol. Its IUPAC name is [2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone.

Molecular Properties

Compound Name[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone
PubChem CID78082796
Molecular FormulaC16H28N8O
Molecular Weight348.46 g/mol
Exact Mass348.24
IUPAC Name[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone
SMILESO=C(C1CNNC1n1cnnn1)N1CCCCC1CCN1CCCC1
InChIInChI=1S/C16H28N8O/c25-16(14-11-17-19-15(14)24-12-18-20-21-24)23-9-2-1-5-13(23)6-10-22-7-3-4-8-22/h12-15,17,19H,1-11H2
InChIKeyLSANJNAPXFGKDM-UHFFFAOYSA-N
XLogP-0.24
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone?
The IUPAC name of [2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone (CID 78082796) is [2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone.
What is the SMILES notation for [2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone?
The canonical SMILES for [2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone is O=C(C1CNNC1n1cnnn1)N1CCCCC1CCN1CCCC1.
What is the InChIKey of [2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone?
The InChIKey is LSANJNAPXFGKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N8O/c25-16(14-11-17-19-15(14)24-12-18-20-21-24)23-9-2-1-5-13(23)6-10-22-7-3-4-8-22/h12-15,17,19H,1-11H2.
What are the key properties of [2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone?
[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone has a molecular weight of 348.46 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone is sourced from PubChem (CID 78082796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).