2-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(tetrazol-1-yl)propan-1-one

C14H24N6O — CID 46975441

IUPAC2-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(tetrazol-1-yl)propan-1-one
SMILESCC(C)(C(=O)N1CCC(N2CCCC2)CC1)n1cnnn1
InChIInChI=1S/C14H24N6O/c1-14(2,20-11-15-16-17-20)13(21)19-9-5-12(6-10-19)18-7-3-4-8-18/h11-12H,3-10H2,1-2H3
InChIKeyOVSIZVYBRDARBA-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.50
Rot. Bonds3

About 2-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(tetrazol-1-yl)propan-1-one

2-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(tetrazol-1-yl)propan-1-one (PubChem CID 46975441) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(tetrazol-1-yl)propan-1-one
PubChem CID46975441
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name2-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(tetrazol-1-yl)propan-1-one
SMILESCC(C)(C(=O)N1CCC(N2CCCC2)CC1)n1cnnn1
InChIInChI=1S/C14H24N6O/c1-14(2,20-11-15-16-17-20)13(21)19-9-5-12(6-10-19)18-7-3-4-8-18/h11-12H,3-10H2,1-2H3
InChIKeyOVSIZVYBRDARBA-UHFFFAOYSA-N
XLogP0.50
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(tetrazol-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(tetrazol-1-yl)propan-1-one (CID 46975441) is 2-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(tetrazol-1-yl)propan-1-one is CC(C)(C(=O)N1CCC(N2CCCC2)CC1)n1cnnn1.
What is the InChIKey of 2-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(tetrazol-1-yl)propan-1-one?
The InChIKey is OVSIZVYBRDARBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-14(2,20-11-15-16-17-20)13(21)19-9-5-12(6-10-19)18-7-3-4-8-18/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(tetrazol-1-yl)propan-1-one?
2-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(tetrazol-1-yl)propan-1-one has a molecular weight of 292.39 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 46975441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).