1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone

C16H29N7O — CID 56716044

IUPAC1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone
SMILESCC1CCN(Cc2nnnn2CC(=O)N2CCC(N(C)C)C2)CC1
InChIInChI=1S/C16H29N7O/c1-13-4-7-21(8-5-13)11-15-17-18-19-23(15)12-16(24)22-9-6-14(10-22)20(2)3/h13-14H,4-12H2,1-3H3
InChIKeyOJBXCBZIOZDSRV-UHFFFAOYSA-N
MW335.46 g/mol
LogP0.07
Rot. Bonds5

About 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone

1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone (PubChem CID 56716044) has the molecular formula C16H29N7O and a molecular weight of 335.46 g/mol. Its IUPAC name is 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone
PubChem CID56716044
Molecular FormulaC16H29N7O
Molecular Weight335.46 g/mol
Exact Mass335.24
IUPAC Name1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone
SMILESCC1CCN(Cc2nnnn2CC(=O)N2CCC(N(C)C)C2)CC1
InChIInChI=1S/C16H29N7O/c1-13-4-7-21(8-5-13)11-15-17-18-19-23(15)12-16(24)22-9-6-14(10-22)20(2)3/h13-14H,4-12H2,1-3H3
InChIKeyOJBXCBZIOZDSRV-UHFFFAOYSA-N
XLogP0.07
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone?
The IUPAC name of 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone (CID 56716044) is 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone.
What is the SMILES notation for 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone?
The canonical SMILES for 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone is CC1CCN(Cc2nnnn2CC(=O)N2CCC(N(C)C)C2)CC1.
What is the InChIKey of 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone?
The InChIKey is OJBXCBZIOZDSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N7O/c1-13-4-7-21(8-5-13)11-15-17-18-19-23(15)12-16(24)22-9-6-14(10-22)20(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone?
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone has a molecular weight of 335.46 g/mol, XLogP of 0.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone is sourced from PubChem (CID 56716044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).