N-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide

C22H24N6O2 — CID 78858542

IUPACN-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C22H24N6O2/c29-21(14-17-6-8-20(9-7-17)28-16-24-25-26-28)27-12-10-19(11-13-27)22(30)23-15-18-4-2-1-3-5-18/h1-9,16,19H,10-15H2,(H,23,30)
InChIKeyHQDZXIJSESYTTR-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.76
Rot. Bonds6

About N-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide

N-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide (PubChem CID 78858542) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide
PubChem CID78858542
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C22H24N6O2/c29-21(14-17-6-8-20(9-7-17)28-16-24-25-26-28)27-12-10-19(11-13-27)22(30)23-15-18-4-2-1-3-5-18/h1-9,16,19H,10-15H2,(H,23,30)
InChIKeyHQDZXIJSESYTTR-UHFFFAOYSA-N
XLogP1.76
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide
CID 55778982
N-benzyl-2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]acetamide
CID 55651949
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 111561769
1-[4-(aminomethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride
CID 119423814
N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113003928
1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
CID 119273066
N-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide
CID 46472669
1-[4-(3-methylphenoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 70767696
1-[2-(4-aminophenyl)acetyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119759278
N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide
CID 31588009
N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 156687025
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 97081594

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide (CID 78858542) is N-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1.
What is the InChIKey of N-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide?
The InChIKey is HQDZXIJSESYTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c29-21(14-17-6-8-20(9-7-17)28-16-24-25-26-28)27-12-10-19(11-13-27)22(30)23-15-18-4-2-1-3-5-18/h1-9,16,19H,10-15H2,(H,23,30).
What are the key properties of N-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide?
N-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 78858542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).