2-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]ethanone

C14H23N5O — CID 110196517

IUPAC2-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]ethanone
SMILESCn1nnnc1C1CCCN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C14H23N5O/c1-18-14(15-16-17-18)12-7-4-8-19(10-12)13(20)9-11-5-2-3-6-11/h11-12H,2-10H2,1H3
InChIKeyJOTJJAOXKAQKDT-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.50
Rot. Bonds3

About 2-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]ethanone

2-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 110196517) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID110196517
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]ethanone
SMILESCn1nnnc1C1CCCN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C14H23N5O/c1-18-14(15-16-17-18)12-7-4-8-19(10-12)13(20)9-11-5-2-3-6-11/h11-12H,2-10H2,1H3
InChIKeyJOTJJAOXKAQKDT-UHFFFAOYSA-N
XLogP1.50
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]ethanone (CID 110196517) is 2-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]ethanone is Cn1nnnc1C1CCCN(C(=O)CC2CCCC2)C1.
What is the InChIKey of 2-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is JOTJJAOXKAQKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-18-14(15-16-17-18)12-7-4-8-19(10-12)13(20)9-11-5-2-3-6-11/h11-12H,2-10H2,1H3.
What are the key properties of 2-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]ethanone?
2-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 277.37 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110196517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).