4-(hydroxymethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide

C15H24N2O2S — CID 71867984

IUPAC4-(hydroxymethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide
SMILESCC(CNC(=O)N1CCC(CO)CC1)Cc1cccs1
InChIInChI=1S/C15H24N2O2S/c1-12(9-14-3-2-8-20-14)10-16-15(19)17-6-4-13(11-18)5-7-17/h2-3,8,12-13,18H,4-7,9-11H2,1H3,(H,16,19)
InChIKeyXMHFRKAGVRHREZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.34
Rot. Bonds5

About 4-(hydroxymethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide

4-(hydroxymethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide (PubChem CID 71867984) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide
PubChem CID71867984
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-(hydroxymethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide
SMILESCC(CNC(=O)N1CCC(CO)CC1)Cc1cccs1
InChIInChI=1S/C15H24N2O2S/c1-12(9-14-3-2-8-20-14)10-16-15(19)17-6-4-13(11-18)5-7-17/h2-3,8,12-13,18H,4-7,9-11H2,1H3,(H,16,19)
InChIKeyXMHFRKAGVRHREZ-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide (CID 71867984) is 4-(hydroxymethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide is CC(CNC(=O)N1CCC(CO)CC1)Cc1cccs1.
What is the InChIKey of 4-(hydroxymethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide?
The InChIKey is XMHFRKAGVRHREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12(9-14-3-2-8-20-14)10-16-15(19)17-6-4-13(11-18)5-7-17/h2-3,8,12-13,18H,4-7,9-11H2,1H3,(H,16,19).
What are the key properties of 4-(hydroxymethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide?
4-(hydroxymethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 71867984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).