N,N-dimethyl-2-[4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-1-yl]acetamide

C20H36N8O2 — CID 42195715

IUPACN,N-dimethyl-2-[4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-1-yl]acetamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1
InChIInChI=1S/C20H36N8O2/c1-17-6-9-25(10-7-17)15-18-21-22-23-28(18)8-4-5-19(29)27-13-11-26(12-14-27)16-20(30)24(2)3/h17H,4-16H2,1-3H3
InChIKeySACAWWOXYUUPJC-UHFFFAOYSA-N
MW420.56 g/mol
LogP-0.08
Rot. Bonds8

About N,N-dimethyl-2-[4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-1-yl]acetamide

N,N-dimethyl-2-[4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-1-yl]acetamide (PubChem CID 42195715) has the molecular formula C20H36N8O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-1-yl]acetamide
PubChem CID42195715
Molecular FormulaC20H36N8O2
Molecular Weight420.56 g/mol
Exact Mass420.30
IUPAC NameN,N-dimethyl-2-[4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-1-yl]acetamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1
InChIInChI=1S/C20H36N8O2/c1-17-6-9-25(10-7-17)15-18-21-22-23-28(18)8-4-5-19(29)27-13-11-26(12-14-27)16-20(30)24(2)3/h17H,4-16H2,1-3H3
InChIKeySACAWWOXYUUPJC-UHFFFAOYSA-N
XLogP-0.08
TPSA90.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-1-yl]acetamide (CID 42195715) is N,N-dimethyl-2-[4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-1-yl]acetamide is CC1CCN(Cc2nnnn2CCCC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-1-yl]acetamide?
The InChIKey is SACAWWOXYUUPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N8O2/c1-17-6-9-25(10-7-17)15-18-21-22-23-28(18)8-4-5-19(29)27-13-11-26(12-14-27)16-20(30)24(2)3/h17H,4-16H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-1-yl]acetamide?
N,N-dimethyl-2-[4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-1-yl]acetamide has a molecular weight of 420.56 g/mol, XLogP of -0.08, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 42195715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).