1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide

C17H25N6O2+ — CID 7391555

IUPAC1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide
SMILESCOCCn1nnnc1[C@@H](c1ccccc1)[NH+]1CCC(C(N)=O)CC1
InChIInChI=1S/C17H24N6O2/c1-25-12-11-23-17(19-20-21-23)15(13-5-3-2-4-6-13)22-9-7-14(8-10-22)16(18)24/h2-6,14-15H,7-12H2,1H3,(H2,18,24)/p+1/t15-/m1/s1
InChIKeyMOHNFHGRZNUPIL-OAHLLOKOSA-O
MW345.43 g/mol
LogP-0.81
Rot. Bonds7

About 1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide

1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide (PubChem CID 7391555) has the molecular formula C17H25N6O2+ and a molecular weight of 345.43 g/mol. Its IUPAC name is 1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide
PubChem CID7391555
Molecular FormulaC17H25N6O2+
Molecular Weight345.43 g/mol
Exact Mass345.20
IUPAC Name1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide
SMILESCOCCn1nnnc1[C@@H](c1ccccc1)[NH+]1CCC(C(N)=O)CC1
InChIInChI=1S/C17H24N6O2/c1-25-12-11-23-17(19-20-21-23)15(13-5-3-2-4-6-13)22-9-7-14(8-10-22)16(18)24/h2-6,14-15H,7-12H2,1H3,(H2,18,24)/p+1/t15-/m1/s1
InChIKeyMOHNFHGRZNUPIL-OAHLLOKOSA-O
XLogP-0.81
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7391655
1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium
CID 7391551
1-[(S)-(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperidin-1-ium-4-carboxamide
CID 7384068
1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide
CID 7391332
1-[(R)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide
CID 6986215
1-[(S)-(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7396384
1-[(S)-(4-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide
CID 6986114
1-[(R)-(4-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide
CID 6986113
1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7388386
1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 7391572
1-[(R)-(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 7391700
1-[(R)-(2-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide
CID 7397446

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide (CID 7391555) is 1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide is COCCn1nnnc1[C@@H](c1ccccc1)[NH+]1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide?
The InChIKey is MOHNFHGRZNUPIL-OAHLLOKOSA-O. The full InChI is InChI=1S/C17H24N6O2/c1-25-12-11-23-17(19-20-21-23)15(13-5-3-2-4-6-13)22-9-7-14(8-10-22)16(18)24/h2-6,14-15H,7-12H2,1H3,(H2,18,24)/p+1/t15-/m1/s1.
What are the key properties of 1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide?
1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide has a molecular weight of 345.43 g/mol, XLogP of -0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 7391555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).