N-[(3S,4R)-3-fluoro-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide

C22H23F4N7O — CID 70695705

IUPACN-[(3S,4R)-3-fluoro-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCN(C(=O)Cc1ccc(-n2cnnn2)cc1)[C@@H]1CCN(Cc2ccc(C(F)(F)F)cn2)C[C@@H]1F
InChIInChI=1S/C22H23F4N7O/c1-31(21(34)10-15-2-6-18(7-3-15)33-14-28-29-30-33)20-8-9-32(13-19(20)23)12-17-5-4-16(11-27-17)22(24,25)26/h2-7,11,14,19-20H,8-10,12-13H2,1H3/t19-,20+/m0/s1
InChIKeyBOSVYVGSGZEAPB-VQTJNVASSA-N
MW477.47 g/mol
LogP2.69
Rot. Bonds6

About N-[(3S,4R)-3-fluoro-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-[(3S,4R)-3-fluoro-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 70695705) has the molecular formula C22H23F4N7O and a molecular weight of 477.47 g/mol. Its IUPAC name is N-[(3S,4R)-3-fluoro-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-fluoro-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID70695705
Molecular FormulaC22H23F4N7O
Molecular Weight477.47 g/mol
Exact Mass477.19
IUPAC NameN-[(3S,4R)-3-fluoro-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCN(C(=O)Cc1ccc(-n2cnnn2)cc1)[C@@H]1CCN(Cc2ccc(C(F)(F)F)cn2)C[C@@H]1F
InChIInChI=1S/C22H23F4N7O/c1-31(21(34)10-15-2-6-18(7-3-15)33-14-28-29-30-33)20-8-9-32(13-19(20)23)12-17-5-4-16(11-27-17)22(24,25)26/h2-7,11,14,19-20H,8-10,12-13H2,1H3/t19-,20+/m0/s1
InChIKeyBOSVYVGSGZEAPB-VQTJNVASSA-N
XLogP2.69
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.47
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(Methylamino)-2-Oxidanylidene-Ethyl]-2-(4-Pyrazol-1-Ylphenyl)-N-(1-Pyridin-2-Ylpiperidin-4-Yl)ethanamide
CID 122391195
(3R)-3-amino-1-[8-(pyridin-2-ylmethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
CID 45263687
N-[(3S,4R)-3-fluoro-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 70689387
2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-(2-tetrazol-1-yl-benzyl)-acetamide
CID 10115923
(4-fluorophenyl)-[(8R)-8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 67453148
[2-fluoro-3-(trifluoromethyl)phenyl]-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 118949568
2-{4-[4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzoyl]-1-piperazinyl}pyrimidine
CID 1034356
[4-(1H-pyrazol-1-yl)phenyl]{4-[3-(trifluoromethyl)-2-pyridinyl]piperazino}methanone
CID 2813860
[4-(3,5-Dimethylpyrazol-1-yl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 8934323
1-[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]butan-1-one
CID 70687516
N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]acetamide
CID 70683089
N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]acetamide
CID 70689385

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-fluoro-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[(3S,4R)-3-fluoro-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 70695705) is N-[(3S,4R)-3-fluoro-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[(3S,4R)-3-fluoro-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[(3S,4R)-3-fluoro-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide is CN(C(=O)Cc1ccc(-n2cnnn2)cc1)[C@@H]1CCN(Cc2ccc(C(F)(F)F)cn2)C[C@@H]1F.
What is the InChIKey of N-[(3S,4R)-3-fluoro-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is BOSVYVGSGZEAPB-VQTJNVASSA-N. The full InChI is InChI=1S/C22H23F4N7O/c1-31(21(34)10-15-2-6-18(7-3-15)33-14-28-29-30-33)20-8-9-32(13-19(20)23)12-17-5-4-16(11-27-17)22(24,25)26/h2-7,11,14,19-20H,8-10,12-13H2,1H3/t19-,20+/m0/s1.
What are the key properties of N-[(3S,4R)-3-fluoro-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[(3S,4R)-3-fluoro-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 477.47 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-fluoro-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 70695705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).