1-cyclopentyl-4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperazin-2-one

C17H27N7O2 — CID 25310511

IUPAC1-cyclopentyl-4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperazin-2-one
SMILESO=C(Cn1nnnc1CN1CCCC1)N1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C17H27N7O2/c25-16(13-24-15(18-19-20-24)11-21-7-3-4-8-21)22-9-10-23(17(26)12-22)14-5-1-2-6-14/h14H,1-13H2
InChIKeyYHMMNBVZHWXXCK-UHFFFAOYSA-N
MW361.45 g/mol
LogP-0.12
Rot. Bonds5

About 1-cyclopentyl-4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperazin-2-one

1-cyclopentyl-4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperazin-2-one (PubChem CID 25310511) has the molecular formula C17H27N7O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-cyclopentyl-4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperazin-2-one
PubChem CID25310511
Molecular FormulaC17H27N7O2
Molecular Weight361.45 g/mol
Exact Mass361.22
IUPAC Name1-cyclopentyl-4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperazin-2-one
SMILESO=C(Cn1nnnc1CN1CCCC1)N1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C17H27N7O2/c25-16(13-24-15(18-19-20-24)11-21-7-3-4-8-21)22-9-10-23(17(26)12-22)14-5-1-2-6-14/h14H,1-13H2
InChIKeyYHMMNBVZHWXXCK-UHFFFAOYSA-N
XLogP-0.12
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperazin-2-one?
The IUPAC name of 1-cyclopentyl-4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperazin-2-one (CID 25310511) is 1-cyclopentyl-4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperazin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperazin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperazin-2-one is O=C(Cn1nnnc1CN1CCCC1)N1CCN(C2CCCC2)C(=O)C1.
What is the InChIKey of 1-cyclopentyl-4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperazin-2-one?
The InChIKey is YHMMNBVZHWXXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O2/c25-16(13-24-15(18-19-20-24)11-21-7-3-4-8-21)22-9-10-23(17(26)12-22)14-5-1-2-6-14/h14H,1-13H2.
What are the key properties of 1-cyclopentyl-4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperazin-2-one?
1-cyclopentyl-4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperazin-2-one has a molecular weight of 361.45 g/mol, XLogP of -0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperazin-2-one is sourced from PubChem (CID 25310511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).