N-(2-methyl-2-morpholin-4-ylpropyl)-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide

C20H37N7O2 — CID 24794167

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)NCC(C)(C)N2CCOCC2)CC1
InChIInChI=1S/C20H37N7O2/c1-17-6-9-25(10-7-17)15-18-22-23-24-27(18)8-4-5-19(28)21-16-20(2,3)26-11-13-29-14-12-26/h17H,4-16H2,1-3H3,(H,21,28)
InChIKeySQQZOKNAOBBIFN-UHFFFAOYSA-N
MW407.56 g/mol
LogP0.91
Rot. Bonds9

About N-(2-methyl-2-morpholin-4-ylpropyl)-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide

N-(2-methyl-2-morpholin-4-ylpropyl)-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide (PubChem CID 24794167) has the molecular formula C20H37N7O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
PubChem CID24794167
Molecular FormulaC20H37N7O2
Molecular Weight407.56 g/mol
Exact Mass407.30
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)NCC(C)(C)N2CCOCC2)CC1
InChIInChI=1S/C20H37N7O2/c1-17-6-9-25(10-7-17)15-18-22-23-24-27(18)8-4-5-19(28)21-16-20(2,3)26-11-13-29-14-12-26/h17H,4-16H2,1-3H3,(H,21,28)
InChIKeySQQZOKNAOBBIFN-UHFFFAOYSA-N
XLogP0.91
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide (CID 24794167) is N-(2-methyl-2-morpholin-4-ylpropyl)-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide is CC1CCN(Cc2nnnn2CCCC(=O)NCC(C)(C)N2CCOCC2)CC1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
The InChIKey is SQQZOKNAOBBIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N7O2/c1-17-6-9-25(10-7-17)15-18-22-23-24-27(18)8-4-5-19(28)21-16-20(2,3)26-11-13-29-14-12-26/h17H,4-16H2,1-3H3,(H,21,28).
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
N-(2-methyl-2-morpholin-4-ylpropyl)-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide has a molecular weight of 407.56 g/mol, XLogP of 0.91, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide is sourced from PubChem (CID 24794167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).