N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide

C12H22N2O3 — CID 106100321

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCC2(O)CCOC2)CC1
InChIInChI=1S/C12H22N2O3/c1-10-2-5-14(6-3-10)11(15)13-8-12(16)4-7-17-9-12/h10,16H,2-9H2,1H3,(H,13,15)
InChIKeyAFMFVCCYVDFPNN-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.58
Rot. Bonds2

About N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide

N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide (PubChem CID 106100321) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide
PubChem CID106100321
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCC2(O)CCOC2)CC1
InChIInChI=1S/C12H22N2O3/c1-10-2-5-14(6-3-10)11(15)13-8-12(16)4-7-17-9-12/h10,16H,2-9H2,1H3,(H,13,15)
InChIKeyAFMFVCCYVDFPNN-UHFFFAOYSA-N
XLogP0.58
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 106100320
N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide
CID 104706035
4-[(3-hydroxyoxolan-3-yl)methylamino]piperidine-1-carboxamide
CID 113349181
4-methyl-N-[(1-propylcyclopropyl)methyl]piperidine-1-carboxamide
CID 113257177
N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide
CID 103849502
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide
CID 103848673
N-[(1-hydroxycycloheptyl)methyl]morpholine-4-carboxamide
CID 78993303
2-cyclobutyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849320
N-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboxamide
CID 79159286
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-4-carboxamide
CID 106101296
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-4-methylpiperidine-1-carboxamide
CID 47873402
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 106765719

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide (CID 106100321) is N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NCC2(O)CCOC2)CC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is AFMFVCCYVDFPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10-2-5-14(6-3-10)11(15)13-8-12(16)4-7-17-9-12/h10,16H,2-9H2,1H3,(H,13,15).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 106100321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).