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

C23H24F4N6O — CID 70683090

IUPACN-[(3R,4S)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]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)cc2)C[C@H]1F
InChIInChI=1S/C23H24F4N6O/c1-31(22(34)12-16-4-8-19(9-5-16)33-15-28-29-30-33)21-10-11-32(14-20(21)24)13-17-2-6-18(7-3-17)23(25,26)27/h2-9,15,20-21H,10-14H2,1H3/t20-,21+/m1/s1
InChIKeyIFGKACWCWSTXBV-RTWAWAEBSA-N
MW476.48 g/mol
LogP3.29
Rot. Bonds6

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

N-[(3R,4S)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 70683090) has the molecular formula C23H24F4N6O and a molecular weight of 476.48 g/mol. Its IUPAC name is N-[(3R,4S)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID70683090
Molecular FormulaC23H24F4N6O
Molecular Weight476.48 g/mol
Exact Mass476.19
IUPAC NameN-[(3R,4S)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]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)cc2)C[C@H]1F
InChIInChI=1S/C23H24F4N6O/c1-31(22(34)12-16-4-8-19(9-5-16)33-15-28-29-30-33)21-10-11-32(14-20(21)24)13-17-2-6-18(7-3-17)23(25,26)27/h2-9,15,20-21H,10-14H2,1H3/t20-,21+/m1/s1
InChIKeyIFGKACWCWSTXBV-RTWAWAEBSA-N
XLogP3.29
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 56643412
N-[(3S,4R)-3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 70685175
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
1-[4-[2-(4-Nitrophenyl)ethyl]piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 57331240
3-[2-[4-[2-[4-(Tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]benzonitrile
CID 57331268
4-[2-(4-{[4-(1H-tetrazol-1-yl)phenyl]acetyl}piperazin-1-yl)ethyl]benzonitrile
CID 67518221
2-Acetylamino-3-(4-fluoro-phenyl)-N-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-propionamide
CID 649890
1-(diphenylmethyl)-4-[4-(1H-tetrazol-1-yl)benzoyl]piperazine
CID 2355819
2-acetamido-3-(3,4-difluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
CID 3231809
N-(3,4-difluorophenyl)-1-[4-(1H-tetrazol-1-ylmethyl)benzoyl]-3-piperidinamine
CID 24819549
N-[(3R,4S)-3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 70683091
N-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 70689386

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[(3R,4S)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 70683090) is N-[(3R,4S)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[(3R,4S)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[(3R,4S)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]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)cc2)C[C@H]1F.
What is the InChIKey of N-[(3R,4S)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is IFGKACWCWSTXBV-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H24F4N6O/c1-31(22(34)12-16-4-8-19(9-5-16)33-15-28-29-30-33)21-10-11-32(14-20(21)24)13-17-2-6-18(7-3-17)23(25,26)27/h2-9,15,20-21H,10-14H2,1H3/t20-,21+/m1/s1.
What are the key properties of N-[(3R,4S)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[(3R,4S)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 476.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 70683090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).