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

C22H32N6O — CID 7411277

IUPACN-cyclohexyl-2-[5-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]tetrazol-2-yl]acetamide
SMILESC[C@H]1CCCCN1Cc1ccc(-c2nnn(CC(=O)NC3CCCCC3)n2)cc1
InChIInChI=1S/C22H32N6O/c1-17-7-5-6-14-27(17)15-18-10-12-19(13-11-18)22-24-26-28(25-22)16-21(29)23-20-8-3-2-4-9-20/h10-13,17,20H,2-9,14-16H2,1H3,(H,23,29)/t17-/m0/s1
InChIKeyALXVQBNGZRZDEE-KRWDZBQOSA-N
MW396.54 g/mol
LogP3.16
Rot. Bonds6

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

N-cyclohexyl-2-[5-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]tetrazol-2-yl]acetamide (PubChem CID 7411277) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is N-cyclohexyl-2-[5-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[5-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]tetrazol-2-yl]acetamide
PubChem CID7411277
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC NameN-cyclohexyl-2-[5-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]tetrazol-2-yl]acetamide
SMILESC[C@H]1CCCCN1Cc1ccc(-c2nnn(CC(=O)NC3CCCCC3)n2)cc1
InChIInChI=1S/C22H32N6O/c1-17-7-5-6-14-27(17)15-18-10-12-19(13-11-18)22-24-26-28(25-22)16-21(29)23-20-8-3-2-4-9-20/h10-13,17,20H,2-9,14-16H2,1H3,(H,23,29)/t17-/m0/s1
InChIKeyALXVQBNGZRZDEE-KRWDZBQOSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589043
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 46951966
N-cyclohexyl-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]acetamide
CID 1136538
N-cyclohexyl-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide
CID 18524845
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]tetrazol-2-yl]ethanone
CID 1462964
N-cyclopentyl-2-[5-(3-methylphenyl)tetrazol-2-yl]acetamide
CID 6458492
cis-(1R,3S)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678264
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9355690
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 4588687
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 4825781
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide
CID 3179691
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate
CID 8825492

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[5-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[5-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]tetrazol-2-yl]acetamide (CID 7411277) is N-cyclohexyl-2-[5-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[5-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[5-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]tetrazol-2-yl]acetamide is C[C@H]1CCCCN1Cc1ccc(-c2nnn(CC(=O)NC3CCCCC3)n2)cc1.
What is the InChIKey of N-cyclohexyl-2-[5-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]tetrazol-2-yl]acetamide?
The InChIKey is ALXVQBNGZRZDEE-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H32N6O/c1-17-7-5-6-14-27(17)15-18-10-12-19(13-11-18)22-24-26-28(25-22)16-21(29)23-20-8-3-2-4-9-20/h10-13,17,20H,2-9,14-16H2,1H3,(H,23,29)/t17-/m0/s1.
What are the key properties of N-cyclohexyl-2-[5-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]tetrazol-2-yl]acetamide?
N-cyclohexyl-2-[5-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]tetrazol-2-yl]acetamide has a molecular weight of 396.54 g/mol, XLogP of 3.16, 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-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 7411277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).