N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(tetrazol-1-yl)benzamide

C18H20N8O2 — CID 136962362

IUPACN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(tetrazol-1-yl)benzamide
SMILESCc1cc(=O)[nH]c(N2CCC(NC(=O)c3cccc(-n4cnnn4)c3)CC2)n1
InChIInChI=1S/C18H20N8O2/c1-12-9-16(27)22-18(20-12)25-7-5-14(6-8-25)21-17(28)13-3-2-4-15(10-13)26-11-19-23-24-26/h2-4,9-11,14H,5-8H2,1H3,(H,21,28)(H,20,22,27)
InChIKeyVBTFSYLSMJGOQK-UHFFFAOYSA-N
MW380.41 g/mol
LogP0.45
Rot. Bonds4

About N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(tetrazol-1-yl)benzamide

N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(tetrazol-1-yl)benzamide (PubChem CID 136962362) has the molecular formula C18H20N8O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(tetrazol-1-yl)benzamide
PubChem CID136962362
Molecular FormulaC18H20N8O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC NameN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(tetrazol-1-yl)benzamide
SMILESCc1cc(=O)[nH]c(N2CCC(NC(=O)c3cccc(-n4cnnn4)c3)CC2)n1
InChIInChI=1S/C18H20N8O2/c1-12-9-16(27)22-18(20-12)25-7-5-14(6-8-25)21-17(28)13-3-2-4-15(10-13)26-11-19-23-24-26/h2-4,9-11,14H,5-8H2,1H3,(H,21,28)(H,20,22,27)
InChIKeyVBTFSYLSMJGOQK-UHFFFAOYSA-N
XLogP0.45
TPSA121.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(tetrazol-1-yl)benzamide (CID 136962362) is N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(tetrazol-1-yl)benzamide is Cc1cc(=O)[nH]c(N2CCC(NC(=O)c3cccc(-n4cnnn4)c3)CC2)n1.
What is the InChIKey of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is VBTFSYLSMJGOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O2/c1-12-9-16(27)22-18(20-12)25-7-5-14(6-8-25)21-17(28)13-3-2-4-15(10-13)26-11-19-23-24-26/h2-4,9-11,14H,5-8H2,1H3,(H,21,28)(H,20,22,27).
What are the key properties of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(tetrazol-1-yl)benzamide?
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 380.41 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 136962362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).