N-cyclohexyl-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide

C22H32N6O — CID 3220588

IUPACN-cyclohexyl-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
SMILESCC1CCN(Cc2ccc(-c3nnn(CC(=O)NC4CCCCC4)n3)cc2)CC1
InChIInChI=1S/C22H32N6O/c1-17-11-13-27(14-12-17)15-18-7-9-19(10-8-18)22-24-26-28(25-22)16-21(29)23-20-5-3-2-4-6-20/h7-10,17,20H,2-6,11-16H2,1H3,(H,23,29)
InChIKeyMJHSRUQPMSFYNC-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.02
Rot. Bonds6

About N-cyclohexyl-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide

N-cyclohexyl-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide (PubChem CID 3220588) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is N-cyclohexyl-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
PubChem CID3220588
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC NameN-cyclohexyl-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
SMILESCC1CCN(Cc2ccc(-c3nnn(CC(=O)NC4CCCCC4)n3)cc2)CC1
InChIInChI=1S/C22H32N6O/c1-17-11-13-27(14-12-17)15-18-7-9-19(10-8-18)22-24-26-28(25-22)16-21(29)23-20-5-3-2-4-6-20/h7-10,17,20H,2-6,11-16H2,1H3,(H,23,29)
InChIKeyMJHSRUQPMSFYNC-UHFFFAOYSA-N
XLogP3.02
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide (CID 3220588) is N-cyclohexyl-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide is CC1CCN(Cc2ccc(-c3nnn(CC(=O)NC4CCCCC4)n3)cc2)CC1.
What is the InChIKey of N-cyclohexyl-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide?
The InChIKey is MJHSRUQPMSFYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-17-11-13-27(14-12-17)15-18-7-9-19(10-8-18)22-24-26-28(25-22)16-21(29)23-20-5-3-2-4-6-20/h7-10,17,20H,2-6,11-16H2,1H3,(H,23,29).
What are the key properties of N-cyclohexyl-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide?
N-cyclohexyl-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide has a molecular weight of 396.54 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 3220588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).