N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide

C22H28FN7O2S — CID 14426416

IUPACN-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide
SMILESCCC(=O)N(c1ccccc1F)C1(c2nccs2)CCN(CCn2nnn(CC)c2=O)CC1
InChIInChI=1S/C22H28FN7O2S/c1-3-19(31)30(18-8-6-5-7-17(18)23)22(20-24-11-16-33-20)9-12-27(13-10-22)14-15-29-21(32)28(4-2)25-26-29/h5-8,11,16H,3-4,9-10,12-15H2,1-2H3
InChIKeyXAGYZXZRWOVGLF-UHFFFAOYSA-N
MW473.58 g/mol
LogP2.49
Rot. Bonds8

About N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide

N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 14426416) has the molecular formula C22H28FN7O2S and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide
PubChem CID14426416
Molecular FormulaC22H28FN7O2S
Molecular Weight473.58 g/mol
Exact Mass473.20
IUPAC NameN-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide
SMILESCCC(=O)N(c1ccccc1F)C1(c2nccs2)CCN(CCn2nnn(CC)c2=O)CC1
InChIInChI=1S/C22H28FN7O2S/c1-3-19(31)30(18-8-6-5-7-17(18)23)22(20-24-11-16-33-20)9-12-27(13-10-22)14-15-29-21(32)28(4-2)25-26-29/h5-8,11,16H,3-4,9-10,12-15H2,1-2H3
InChIKeyXAGYZXZRWOVGLF-UHFFFAOYSA-N
XLogP2.49
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(3S,4R)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methoxypiperidin-4-yl]-N-(2-fluorophenyl)propanamide
CID 54312079
N-[1-[2,2-dideuterio-2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-methoxypiperidin-4-yl]-N-phenylpropanamide
CID 44621675
N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-methoxypiperidin-4-yl]-N-(2,3,4,5,6-pentadeuteriophenyl)propanamide
CID 44620999
N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide;4-methylbenzenesulfonic acid
CID 175045392
N-(2-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]acetamide;hydrochloride
CID 14426232
N-phenyl-N-[1-[1,1,2,2-tetradeuterio-2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(trideuteriomethoxy)piperidin-4-yl]propanamide
CID 44621641
bis(methyl 4-[acetyl(phenylmethoxy)amino]-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]piperidine-4-carboxylate);oxalic acid
CID 173411863
N-[1-[2-(2-fluorophenyl)ethyl]-4-(1-methyltetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide
CID 14426373
N-[4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 14426363
N-(2-fluorophenyl)-N-[2-(2-phenylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide
CID 23057366
N-[1-benzyl-4-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]-N-(4-chlorophenyl)propanamide
CID 23083221
methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]piperidine-4-carboxylate;oxalic acid
CID 88677091

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide?
The IUPAC name of N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide (CID 14426416) is N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide is CCC(=O)N(c1ccccc1F)C1(c2nccs2)CCN(CCn2nnn(CC)c2=O)CC1.
What is the InChIKey of N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide?
The InChIKey is XAGYZXZRWOVGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN7O2S/c1-3-19(31)30(18-8-6-5-7-17(18)23)22(20-24-11-16-33-20)9-12-27(13-10-22)14-15-29-21(32)28(4-2)25-26-29/h5-8,11,16H,3-4,9-10,12-15H2,1-2H3.
What are the key properties of N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide?
N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 473.58 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 14426416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).