[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone

C15H19N5O — CID 28934963

IUPAC[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-n3cnnn3)cc2)C1
InChIInChI=1S/C15H19N5O/c1-11-7-12(2)9-19(8-11)15(21)13-3-5-14(6-4-13)20-10-16-17-18-20/h3-6,10-12H,7-9H2,1-2H3/t11-,12-/m1/s1
InChIKeyDBRVMMASDXTNSI-VXGBXAGGSA-N
MW285.35 g/mol
LogP1.78
Rot. Bonds2

About [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone

[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone (PubChem CID 28934963) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
PubChem CID28934963
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-n3cnnn3)cc2)C1
InChIInChI=1S/C15H19N5O/c1-11-7-12(2)9-19(8-11)15(21)13-3-5-14(6-4-13)20-10-16-17-18-20/h3-6,10-12H,7-9H2,1-2H3/t11-,12-/m1/s1
InChIKeyDBRVMMASDXTNSI-VXGBXAGGSA-N
XLogP1.78
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
CID 47006518
[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 95197173
(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
(4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone
CID 55956327
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
[3-(1-aminoethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119595353
(2-methylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone
CID 62673813
[3-(methylaminomethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119397457
4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one
CID 47111544
[(2R)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 124852882
N-(3-methylcyclopentyl)-4-(tetrazol-1-yl)benzamide
CID 114550130

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone (CID 28934963) is [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone is C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-n3cnnn3)cc2)C1.
What is the InChIKey of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is DBRVMMASDXTNSI-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-7-12(2)9-19(8-11)15(21)13-3-5-14(6-4-13)20-10-16-17-18-20/h3-6,10-12H,7-9H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone?
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 285.35 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 28934963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).