N-butyl-1-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-4-carboxamide

C15H30N2O2 — CID 111105976

IUPACN-butyl-1-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C15H30N2O2/c1-5-6-9-16(4)14(18)13-7-10-17(11-8-13)12-15(2,3)19/h13,19H,5-12H2,1-4H3
InChIKeyQKIZUBOQEAUIJO-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.73
Rot. Bonds6

About N-butyl-1-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-4-carboxamide

N-butyl-1-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-4-carboxamide (PubChem CID 111105976) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-butyl-1-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-4-carboxamide
PubChem CID111105976
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-butyl-1-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C15H30N2O2/c1-5-6-9-16(4)14(18)13-7-10-17(11-8-13)12-15(2,3)19/h13,19H,5-12H2,1-4H3
InChIKeyQKIZUBOQEAUIJO-UHFFFAOYSA-N
XLogP1.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-4-carboxamide (CID 111105976) is N-butyl-1-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(CC(C)(C)O)CC1.
What is the InChIKey of N-butyl-1-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is QKIZUBOQEAUIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-6-9-16(4)14(18)13-7-10-17(11-8-13)12-15(2,3)19/h13,19H,5-12H2,1-4H3.
What are the key properties of N-butyl-1-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-4-carboxamide?
N-butyl-1-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 111105976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).