1-[(R)-(2-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide

C22H26FN6O+ — CID 7397446

IUPAC1-[(R)-(2-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide
SMILESNC(=O)C1CC[NH+]([C@H](c2ccccc2F)c2nnnn2CCc2ccccc2)CC1
InChIInChI=1S/C22H25FN6O/c23-19-9-5-4-8-18(19)20(28-13-11-17(12-14-28)21(24)30)22-25-26-27-29(22)15-10-16-6-2-1-3-7-16/h1-9,17,20H,10-15H2,(H2,24,30)/p+1/t20-/m1/s1
InChIKeyJRGRORFROVMUMK-HXUWFJFHSA-O
MW409.49 g/mol
LogP0.92
Rot. Bonds7

About 1-[(R)-(2-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide

1-[(R)-(2-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide (PubChem CID 7397446) has the molecular formula C22H26FN6O+ and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-[(R)-(2-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[(R)-(2-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide
PubChem CID7397446
Molecular FormulaC22H26FN6O+
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name1-[(R)-(2-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide
SMILESNC(=O)C1CC[NH+]([C@H](c2ccccc2F)c2nnnn2CCc2ccccc2)CC1
InChIInChI=1S/C22H25FN6O/c23-19-9-5-4-8-18(19)20(28-13-11-17(12-14-28)21(24)30)22-25-26-27-29(22)15-10-16-6-2-1-3-7-16/h1-9,17,20H,10-15H2,(H2,24,30)/p+1/t20-/m1/s1
InChIKeyJRGRORFROVMUMK-HXUWFJFHSA-O
XLogP0.92
TPSA91.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(R)-(2-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide with MolForge

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Related Compounds

1-[(S)-(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7396384
1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7391655
1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide
CID 7391555
1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide
CID 3210464
1-[(R)-(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide
CID 7396595
1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-1-ium-4-ol
CID 7390809
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
CID 175654218
1-[(R)-(1-benzyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 6986067
1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium
CID 7397433
1-[(R)-(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 7391700
1-cyclopentyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
CID 7397408
1-[(S)-(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperidin-1-ium-4-carboxamide
CID 7384068

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[(R)-(2-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide (CID 7397446) is 1-[(R)-(2-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[(R)-(2-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[(R)-(2-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide is NC(=O)C1CC[NH+]([C@H](c2ccccc2F)c2nnnn2CCc2ccccc2)CC1.
What is the InChIKey of 1-[(R)-(2-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide?
The InChIKey is JRGRORFROVMUMK-HXUWFJFHSA-O. The full InChI is InChI=1S/C22H25FN6O/c23-19-9-5-4-8-18(19)20(28-13-11-17(12-14-28)21(24)30)22-25-26-27-29(22)15-10-16-6-2-1-3-7-16/h1-9,17,20H,10-15H2,(H2,24,30)/p+1/t20-/m1/s1.
What are the key properties of 1-[(R)-(2-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide?
1-[(R)-(2-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(2-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 7397446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).