3-amino-N-[[1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidin-2-yl]methyl]propanamide

C19H27N7O2 — CID 120580017

IUPAC3-amino-N-[[1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidin-2-yl]methyl]propanamide
SMILESCc1ccc(-c2nnn(CC(=O)N3CCCCC3CNC(=O)CCN)n2)cc1
InChIInChI=1S/C19H27N7O2/c1-14-5-7-15(8-6-14)19-22-24-26(23-19)13-18(28)25-11-3-2-4-16(25)12-21-17(27)9-10-20/h5-8,16H,2-4,9-13,20H2,1H3,(H,21,27)
InChIKeyFFEIHNCGAWQJGS-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.49
Rot. Bonds7

About 3-amino-N-[[1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120580017) has the molecular formula C19H27N7O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-amino-N-[[1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidin-2-yl]methyl]propanamide
PubChem CID120580017
Molecular FormulaC19H27N7O2
Molecular Weight385.47 g/mol
Exact Mass385.22
IUPAC Name3-amino-N-[[1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidin-2-yl]methyl]propanamide
SMILESCc1ccc(-c2nnn(CC(=O)N3CCCCC3CNC(=O)CCN)n2)cc1
InChIInChI=1S/C19H27N7O2/c1-14-5-7-15(8-6-14)19-22-24-26(23-19)13-18(28)25-11-3-2-4-16(25)12-21-17(27)9-10-20/h5-8,16H,2-4,9-13,20H2,1H3,(H,21,27)
InChIKeyFFEIHNCGAWQJGS-UHFFFAOYSA-N
XLogP0.49
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579244
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 46806674
3-amino-N-[[1-[1-(4-methylphenyl)triazole-4-carbonyl]piperidin-2-yl]methyl]propanamide
CID 120578129
3-amino-N-[[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120578364
3-amino-N-[[1-(4-oxo-4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579480
2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 134813305
3-amino-N-[[1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120579911
3-amino-N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120578635
N-[[1-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride
CID 120578610
3-amino-N-[[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579736
3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120579429
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119513262

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidin-2-yl]methyl]propanamide (CID 120580017) is 3-amino-N-[[1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidin-2-yl]methyl]propanamide is Cc1ccc(-c2nnn(CC(=O)N3CCCCC3CNC(=O)CCN)n2)cc1.
What is the InChIKey of 3-amino-N-[[1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidin-2-yl]methyl]propanamide?
The InChIKey is FFEIHNCGAWQJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O2/c1-14-5-7-15(8-6-14)19-22-24-26(23-19)13-18(28)25-11-3-2-4-16(25)12-21-17(27)9-10-20/h5-8,16H,2-4,9-13,20H2,1H3,(H,21,27).
What are the key properties of 3-amino-N-[[1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 385.47 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120580017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).