(4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone

C21H21N5O2 — CID 55956327

IUPAC(4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)cc1
InChIInChI=1S/C21H21N5O2/c1-15-2-4-16(5-3-15)20(27)17-10-12-25(13-11-17)21(28)18-6-8-19(9-7-18)26-14-22-23-24-26/h2-9,14,17H,10-13H2,1H3
InChIKeyDUJHTVYOIAORCM-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.71
Rot. Bonds4

About (4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone

(4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone (PubChem CID 55956327) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is (4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone
PubChem CID55956327
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name(4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)cc1
InChIInChI=1S/C21H21N5O2/c1-15-2-4-16(5-3-15)20(27)17-10-12-25(13-11-17)21(28)18-6-8-19(9-7-18)26-14-22-23-24-26/h2-9,14,17H,10-13H2,1H3
InChIKeyDUJHTVYOIAORCM-UHFFFAOYSA-N
XLogP2.71
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
CID 47006518
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 28934963
(4-methylsulfonylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone
CID 28935289
(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113545
(4R)-4-methyl-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
CID 67381029
(4-methylphenyl)-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55957097
(4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
CID 141265347
ethyl (3R)-3-(4-fluorophenyl)-3-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]propanoate
CID 37039387
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
[1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 51089756
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 21007916

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone?
The IUPAC name of (4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone (CID 55956327) is (4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone is Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone?
The InChIKey is DUJHTVYOIAORCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-15-2-4-16(5-3-15)20(27)17-10-12-25(13-11-17)21(28)18-6-8-19(9-7-18)26-14-22-23-24-26/h2-9,14,17H,10-13H2,1H3.
What are the key properties of (4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone?
(4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone has a molecular weight of 375.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone is sourced from PubChem (CID 55956327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).