2-methyl-4-[(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidin-3-yl]-1H-pyrimidin-6-one

C18H19N7O2 — CID 136799295

IUPAC2-methyl-4-[(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@H]2CCCN(C(=O)c3ccc(-n4cnnn4)cc3)C2)cc(=O)[nH]1
InChIInChI=1S/C18H19N7O2/c1-12-20-16(9-17(26)21-12)14-3-2-8-24(10-14)18(27)13-4-6-15(7-5-13)25-11-19-22-23-25/h4-7,9,11,14H,2-3,8,10H2,1H3,(H,20,21,26)/t14-/m0/s1
InChIKeyTZIRBNYBUAFQSF-AWEZNQCLSA-N
MW365.40 g/mol
LogP1.07
Rot. Bonds3

About 2-methyl-4-[(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidin-3-yl]-1H-pyrimidin-6-one

2-methyl-4-[(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136799295) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-methyl-4-[(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136799295
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name2-methyl-4-[(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@H]2CCCN(C(=O)c3ccc(-n4cnnn4)cc3)C2)cc(=O)[nH]1
InChIInChI=1S/C18H19N7O2/c1-12-20-16(9-17(26)21-12)14-3-2-8-24(10-14)18(27)13-4-6-15(7-5-13)25-11-19-22-23-25/h4-7,9,11,14H,2-3,8,10H2,1H3,(H,20,21,26)/t14-/m0/s1
InChIKeyTZIRBNYBUAFQSF-AWEZNQCLSA-N
XLogP1.07
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136861424
(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113545
[3-(methylaminomethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119397457
[3-(1-aminoethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119595353
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
2-methyl-4-[(3S)-1-(5-propyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136696802
2-methyl-4-[(3S)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136799315
N-(4-methoxyphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136988474
N-(3-chloro-2-methylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136948058
2-methyl-4-[(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136804333
2-methyl-4-[(3R)-1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706676

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidin-3-yl]-1H-pyrimidin-6-one (CID 136799295) is 2-methyl-4-[(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidin-3-yl]-1H-pyrimidin-6-one is Cc1nc([C@H]2CCCN(C(=O)c3ccc(-n4cnnn4)cc3)C2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is TZIRBNYBUAFQSF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-12-20-16(9-17(26)21-12)14-3-2-8-24(10-14)18(27)13-4-6-15(7-5-13)25-11-19-22-23-25/h4-7,9,11,14H,2-3,8,10H2,1H3,(H,20,21,26)/t14-/m0/s1.
What are the key properties of 2-methyl-4-[(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidin-3-yl]-1H-pyrimidin-6-one?
2-methyl-4-[(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 365.40 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136799295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).