N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide

C23H28N6O2 — CID 86970829

IUPACN-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
SMILESCOc1ccccc1N1CCCC(NC(=O)C(Cc2ccccc2)n2nnnc2C)C1
InChIInChI=1S/C23H28N6O2/c1-17-25-26-27-29(17)21(15-18-9-4-3-5-10-18)23(30)24-19-11-8-14-28(16-19)20-12-6-7-13-22(20)31-2/h3-7,9-10,12-13,19,21H,8,11,14-16H2,1-2H3,(H,24,30)
InChIKeyLBDKYXWWOSXOHW-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.56
Rot. Bonds7

About N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide

N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide (PubChem CID 86970829) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
PubChem CID86970829
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
SMILESCOc1ccccc1N1CCCC(NC(=O)C(Cc2ccccc2)n2nnnc2C)C1
InChIInChI=1S/C23H28N6O2/c1-17-25-26-27-29(17)21(15-18-9-4-3-5-10-18)23(30)24-19-11-8-14-28(16-19)20-12-6-7-13-22(20)31-2/h3-7,9-10,12-13,19,21H,8,11,14-16H2,1-2H3,(H,24,30)
InChIKeyLBDKYXWWOSXOHW-UHFFFAOYSA-N
XLogP2.56
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide
CID 86965606
N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide
CID 86965644
2-(3-chlorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965513
N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 119619312
2-cyclohexyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965524
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methylphenoxy)acetamide
CID 86965648
2-hydroxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 110015870
3-cyclopentyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide
CID 86965679
2-(carbamoylamino)-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide
CID 86966289
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119895369
N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 86965666
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one
CID 111561044

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide?
The IUPAC name of N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide (CID 86970829) is N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide is COc1ccccc1N1CCCC(NC(=O)C(Cc2ccccc2)n2nnnc2C)C1.
What is the InChIKey of N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide?
The InChIKey is LBDKYXWWOSXOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-17-25-26-27-29(17)21(15-18-9-4-3-5-10-18)23(30)24-19-11-8-14-28(16-19)20-12-6-7-13-22(20)31-2/h3-7,9-10,12-13,19,21H,8,11,14-16H2,1-2H3,(H,24,30).
What are the key properties of N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide?
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide has a molecular weight of 420.52 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide is sourced from PubChem (CID 86970829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).