1-methylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide

C17H26N4O4S — CID 91626271

IUPAC1-methylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CCC(Oc3ncccn3)CC2)CC1
InChIInChI=1S/C17H26N4O4S/c1-26(23,24)21-11-7-13(8-12-21)16(22)20-14-3-5-15(6-4-14)25-17-18-9-2-10-19-17/h2,9-10,13-15H,3-8,11-12H2,1H3,(H,20,22)
InChIKeyHZTQEOPOFXEQPO-UHFFFAOYSA-N
MW382.49 g/mol
LogP0.95
Rot. Bonds5

About 1-methylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide

1-methylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide (PubChem CID 91626271) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide
PubChem CID91626271
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name1-methylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CCC(Oc3ncccn3)CC2)CC1
InChIInChI=1S/C17H26N4O4S/c1-26(23,24)21-11-7-13(8-12-21)16(22)20-14-3-5-15(6-4-14)25-17-18-9-2-10-19-17/h2,9-10,13-15H,3-8,11-12H2,1H3,(H,20,22)
InChIKeyHZTQEOPOFXEQPO-UHFFFAOYSA-N
XLogP0.95
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide (CID 91626271) is 1-methylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NC2CCC(Oc3ncccn3)CC2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide?
The InChIKey is HZTQEOPOFXEQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-26(23,24)21-11-7-13(8-12-21)16(22)20-14-3-5-15(6-4-14)25-17-18-9-2-10-19-17/h2,9-10,13-15H,3-8,11-12H2,1H3,(H,20,22).
What are the key properties of 1-methylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide?
1-methylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide is sourced from PubChem (CID 91626271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).