N-(2-hydroxy-2-propylpentyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C20H33N3O2 — CID 111485089

IUPACN-(2-hydroxy-2-propylpentyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCCCC(O)(CCC)CNC(=O)C1CCN(c2ccc(C)cn2)CC1
InChIInChI=1S/C20H33N3O2/c1-4-10-20(25,11-5-2)15-22-19(24)17-8-12-23(13-9-17)18-7-6-16(3)14-21-18/h6-7,14,17,25H,4-5,8-13,15H2,1-3H3,(H,22,24)
InChIKeyMCXVMPVEBIHVSJ-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.05
Rot. Bonds8

About N-(2-hydroxy-2-propylpentyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

N-(2-hydroxy-2-propylpentyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 111485089) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-(2-hydroxy-2-propylpentyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-propylpentyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID111485089
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-(2-hydroxy-2-propylpentyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCCCC(O)(CCC)CNC(=O)C1CCN(c2ccc(C)cn2)CC1
InChIInChI=1S/C20H33N3O2/c1-4-10-20(25,11-5-2)15-22-19(24)17-8-12-23(13-9-17)18-7-6-16(3)14-21-18/h6-7,14,17,25H,4-5,8-13,15H2,1-3H3,(H,22,24)
InChIKeyMCXVMPVEBIHVSJ-UHFFFAOYSA-N
XLogP3.05
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-propylpentyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-propylpentyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 111485089) is N-(2-hydroxy-2-propylpentyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-propylpentyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-propylpentyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is CCCC(O)(CCC)CNC(=O)C1CCN(c2ccc(C)cn2)CC1.
What is the InChIKey of N-(2-hydroxy-2-propylpentyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is MCXVMPVEBIHVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-4-10-20(25,11-5-2)15-22-19(24)17-8-12-23(13-9-17)18-7-6-16(3)14-21-18/h6-7,14,17,25H,4-5,8-13,15H2,1-3H3,(H,22,24).
What are the key properties of N-(2-hydroxy-2-propylpentyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
N-(2-hydroxy-2-propylpentyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 347.50 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-propylpentyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 111485089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).