N-[[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide

C20H21F3N6O2 — CID 155944636

IUPACN-[[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
SMILESO=C(NCC1CCCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1)c1ccco1
InChIInChI=1S/C20H21F3N6O2/c21-20(22,23)15-5-7-16(8-6-15)29-18(25-26-27-29)13-28-9-1-3-14(12-28)11-24-19(30)17-4-2-10-31-17/h2,4-8,10,14H,1,3,9,11-13H2,(H,24,30)
InChIKeyRWFAHXVEGOFYJK-UHFFFAOYSA-N
MW434.42 g/mol
LogP2.92
Rot. Bonds6

About N-[[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide

N-[[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide (PubChem CID 155944636) has the molecular formula C20H21F3N6O2 and a molecular weight of 434.42 g/mol. Its IUPAC name is N-[[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
PubChem CID155944636
Molecular FormulaC20H21F3N6O2
Molecular Weight434.42 g/mol
Exact Mass434.17
IUPAC NameN-[[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
SMILESO=C(NCC1CCCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1)c1ccco1
InChIInChI=1S/C20H21F3N6O2/c21-20(22,23)15-5-7-16(8-6-15)29-18(25-26-27-29)13-28-9-1-3-14(12-28)11-24-19(30)17-4-2-10-31-17/h2,4-8,10,14H,1,3,9,11-13H2,(H,24,30)
InChIKeyRWFAHXVEGOFYJK-UHFFFAOYSA-N
XLogP2.92
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 45239979
N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 25450902
1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119903894
N-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 166256117
N-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 45199299
N-[[(3S)-1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 26329221
cyclopropyl-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 55856055
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
N-pentyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 55856960
(4aS,7aR)-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
CID 154841833
N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 72882861
1-benzylsulfonyl-4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine
CID 52688067

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide (CID 155944636) is N-[[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide is O=C(NCC1CCCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1)c1ccco1.
What is the InChIKey of N-[[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide?
The InChIKey is RWFAHXVEGOFYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O2/c21-20(22,23)15-5-7-16(8-6-15)29-18(25-26-27-29)13-28-9-1-3-14(12-28)11-24-19(30)17-4-2-10-31-17/h2,4-8,10,14H,1,3,9,11-13H2,(H,24,30).
What are the key properties of N-[[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide?
N-[[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide has a molecular weight of 434.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 155944636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).