N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(tetrazol-1-yl)acetamide

C15H19FN6O — CID 24794018

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C15H19FN6O/c16-14-6-2-1-4-12(14)8-21-7-3-5-13(9-21)18-15(23)10-22-11-17-19-20-22/h1-2,4,6,11,13H,3,5,7-10H2,(H,18,23)
InChIKeyTXCIEDNJYURDAB-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.59
Rot. Bonds5

About N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(tetrazol-1-yl)acetamide

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(tetrazol-1-yl)acetamide (PubChem CID 24794018) has the molecular formula C15H19FN6O and a molecular weight of 318.36 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(tetrazol-1-yl)acetamide
PubChem CID24794018
Molecular FormulaC15H19FN6O
Molecular Weight318.36 g/mol
Exact Mass318.16
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C15H19FN6O/c16-14-6-2-1-4-12(14)8-21-7-3-5-13(9-21)18-15(23)10-22-11-17-19-20-22/h1-2,4,6,11,13H,3,5,7-10H2,(H,18,23)
InChIKeyTXCIEDNJYURDAB-UHFFFAOYSA-N
XLogP0.59
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-(tetrazol-1-yl)acetamide
CID 2166167
N-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide
CID 3299775
N-(4-fluorobenzyl)-2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-methylacetamide
CID 23723423
N-[(1S)-1-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 11957302
N-[1-(4-isobutylbenzyl)-3-piperidinyl]-3-(1H-tetrazol-1-yl)propanamide
CID 24819184
N-(2,5-difluorobenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 3836485
2-(tetrazol-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 16290307
US11845767, Example 253
CID 155738249
(2S,4R)-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]-1-[2-(tetrazol-1-yl)propanoyl]pyrrolidine-2-carboxamide
CID 165138310
(2S,4R)-4-fluoro-N-[(S)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-[2-(tetrazol-1-yl)propanoyl]pyrrolidine-2-carboxamide
CID 165139495
(2S,4R)-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 165139651
(2S,4R)-4-fluoro-N-[(S)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 165140448

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(tetrazol-1-yl)acetamide (CID 24794018) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)NC1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is TXCIEDNJYURDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O/c16-14-6-2-1-4-12(14)8-21-7-3-5-13(9-21)18-15(23)10-22-11-17-19-20-22/h1-2,4,6,11,13H,3,5,7-10H2,(H,18,23).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(tetrazol-1-yl)acetamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 318.36 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 24794018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).