4-(benzimidazol-1-yl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid

C20H19N7O2 — CID 70772086

IUPAC4-(benzimidazol-1-yl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(n2cnc3ccccc32)CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C20H19N7O2/c28-18(29)20(26-14-21-16-8-4-5-9-17(16)26)10-12-25(13-11-20)19-22-23-24-27(19)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,28,29)
InChIKeyQKCASKHLRQGFLZ-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.09
Rot. Bonds4

About 4-(benzimidazol-1-yl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid

4-(benzimidazol-1-yl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid (PubChem CID 70772086) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid
PubChem CID70772086
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name4-(benzimidazol-1-yl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(n2cnc3ccccc32)CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C20H19N7O2/c28-18(29)20(26-14-21-16-8-4-5-9-17(16)26)10-12-25(13-11-20)19-22-23-24-27(19)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,28,29)
InChIKeyQKCASKHLRQGFLZ-UHFFFAOYSA-N
XLogP2.09
TPSA101.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(benzimidazol-1-yl)-1-pyridin-4-ylpiperidine-4-carboxylic acid
CID 56894969
4-(benzimidazol-1-yl)-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid
CID 56907712
4-(benzimidazol-1-yl)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 56901275
4-(benzimidazol-1-yl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid
CID 70714870
4-(benzimidazol-1-yl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
CID 56918210
10-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]acridin-9-one
CID 43073615
4-(benzimidazol-1-yl)-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxylic acid
CID 70760784
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid
CID 119924398
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
morpholin-4-yl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 17493615
1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 27306331
(2-bromophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 2243329

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(benzimidazol-1-yl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid (CID 70772086) is 4-(benzimidazol-1-yl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(benzimidazol-1-yl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(benzimidazol-1-yl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid is O=C(O)C1(n2cnc3ccccc32)CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 4-(benzimidazol-1-yl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid?
The InChIKey is QKCASKHLRQGFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c28-18(29)20(26-14-21-16-8-4-5-9-17(16)26)10-12-25(13-11-20)19-22-23-24-27(19)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,28,29).
What are the key properties of 4-(benzimidazol-1-yl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid?
4-(benzimidazol-1-yl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid has a molecular weight of 389.42 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 70772086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).