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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Related Compounds

N-butyl-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 87022999
N-butyl-1-(cyclohex-3-en-1-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 3881897
N-butyl-N-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxamide;hydrochloride
CID 119738389
ethyl 1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxylate
CID 60886735
N-butyl-N-methyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3151173
N-butyl-N-methyl-1-(8-oxobicyclo[3.2.1]octane-3-carbonyl)piperidine-4-carboxamide
CID 102560286
1-(7-aminoheptanoyl)-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119738371
N-butyl-N-methyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113005644
N-butyl-N-methyloxetane-3-carboxamide
CID 176663831
N-butyl-N-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxamide
CID 119738374
6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119181833
azepan-1-yl-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methanone
CID 110932465

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).