N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-4-carboxamide

C12H22N2O3 — CID 106101296

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)NCC2(O)CCOC2)CCN1
InChIInChI=1S/C12H22N2O3/c1-9-6-10(2-4-13-9)11(15)14-7-12(16)3-5-17-8-12/h9-10,13,16H,2-8H2,1H3,(H,14,15)
InChIKeyVENLAIDOWRLCOD-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.36
Rot. Bonds3

About N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-4-carboxamide

N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-4-carboxamide (PubChem CID 106101296) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-4-carboxamide
PubChem CID106101296
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)NCC2(O)CCOC2)CCN1
InChIInChI=1S/C12H22N2O3/c1-9-6-10(2-4-13-9)11(15)14-7-12(16)3-5-17-8-12/h9-10,13,16H,2-8H2,1H3,(H,14,15)
InChIKeyVENLAIDOWRLCOD-UHFFFAOYSA-N
XLogP-0.36
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-2-methyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
CID 120623333
N-[(1-ethylcyclopropyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106832188
(2S,4S)-2-methyl-N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120635741
N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide
CID 103849502
4-methyl-1-[[(2-methylpiperidine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106740478
(2S,4S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpiperidine-4-carboxamide
CID 120625684
(2S,4S)-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641285
(2S,4S)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120635653
(2S,4S)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120639460
4-ethyl-2-[(3-hydroxyoxolan-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106099745
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
2-methyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 106738666

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-4-carboxamide (CID 106101296) is N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-4-carboxamide is CC1CC(C(=O)NCC2(O)CCOC2)CCN1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is VENLAIDOWRLCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9-6-10(2-4-13-9)11(15)14-7-12(16)3-5-17-8-12/h9-10,13,16H,2-8H2,1H3,(H,14,15).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-4-carboxamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106101296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).