2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone

C19H29N7O2 — CID 26401875

IUPAC2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
SMILESCC(C)N(C)Cc1nnnn1CC(=O)N1CCC[C@@H](OCc2ccccn2)C1
InChIInChI=1S/C19H29N7O2/c1-15(2)24(3)12-18-21-22-23-26(18)13-19(27)25-10-6-8-17(11-25)28-14-16-7-4-5-9-20-16/h4-5,7,9,15,17H,6,8,10-14H2,1-3H3/t17-/m1/s1
InChIKeyIBDNZOSGFUPBIP-QGZVFWFLSA-N
MW387.49 g/mol
LogP1.12
Rot. Bonds8

About 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone

2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone (PubChem CID 26401875) has the molecular formula C19H29N7O2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
PubChem CID26401875
Molecular FormulaC19H29N7O2
Molecular Weight387.49 g/mol
Exact Mass387.24
IUPAC Name2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
SMILESCC(C)N(C)Cc1nnnn1CC(=O)N1CCC[C@@H](OCc2ccccn2)C1
InChIInChI=1S/C19H29N7O2/c1-15(2)24(3)12-18-21-22-23-26(18)13-19(27)25-10-6-8-17(11-25)28-14-16-7-4-5-9-20-16/h4-5,7,9,15,17H,6,8,10-14H2,1-3H3/t17-/m1/s1
InChIKeyIBDNZOSGFUPBIP-QGZVFWFLSA-N
XLogP1.12
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone (CID 26401875) is 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone is CC(C)N(C)Cc1nnnn1CC(=O)N1CCC[C@@H](OCc2ccccn2)C1.
What is the InChIKey of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?
The InChIKey is IBDNZOSGFUPBIP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H29N7O2/c1-15(2)24(3)12-18-21-22-23-26(18)13-19(27)25-10-6-8-17(11-25)28-14-16-7-4-5-9-20-16/h4-5,7,9,15,17H,6,8,10-14H2,1-3H3/t17-/m1/s1.
What are the key properties of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?
2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone has a molecular weight of 387.49 g/mol, XLogP of 1.12, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 26401875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).