1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(1-phenylethyl)piperidine-4-carboxamide

C19H24N4O5S — CID 6621557

IUPAC1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC(C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C19H24N4O5S/c1-12(14-6-4-3-5-7-14)20-17(24)15-8-10-23(11-9-15)29(27,28)16-13(2)21-19(26)22-18(16)25/h3-7,12,15H,8-11H2,1-2H3,(H,20,24)(H2,21,22,25,26)
InChIKeyDXXSCGYNTIYWTQ-UHFFFAOYSA-N
MW420.49 g/mol
LogP0.65
Rot. Bonds5

About 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(1-phenylethyl)piperidine-4-carboxamide

1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(1-phenylethyl)piperidine-4-carboxamide (PubChem CID 6621557) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(1-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(1-phenylethyl)piperidine-4-carboxamide
PubChem CID6621557
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC Name1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC(C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C19H24N4O5S/c1-12(14-6-4-3-5-7-14)20-17(24)15-8-10-23(11-9-15)29(27,28)16-13(2)21-19(26)22-18(16)25/h3-7,12,15H,8-11H2,1-2H3,(H,20,24)(H2,21,22,25,26)
InChIKeyDXXSCGYNTIYWTQ-UHFFFAOYSA-N
XLogP0.65
TPSA132.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(1-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(1-phenylethyl)piperidine-4-carboxamide (CID 6621557) is 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(1-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(1-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(1-phenylethyl)piperidine-4-carboxamide is Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC(C(=O)NC(C)c2ccccc2)CC1.
What is the InChIKey of 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(1-phenylethyl)piperidine-4-carboxamide?
The InChIKey is DXXSCGYNTIYWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-12(14-6-4-3-5-7-14)20-17(24)15-8-10-23(11-9-15)29(27,28)16-13(2)21-19(26)22-18(16)25/h3-7,12,15H,8-11H2,1-2H3,(H,20,24)(H2,21,22,25,26).
What are the key properties of 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(1-phenylethyl)piperidine-4-carboxamide?
1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(1-phenylethyl)piperidine-4-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(1-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 6621557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).