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

C13H24N2O3 — CID 104706035

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide
SMILESCOC1(CNC(=O)N2CCC(C)CC2)CCOC1
InChIInChI=1S/C13H24N2O3/c1-11-3-6-15(7-4-11)12(16)14-9-13(17-2)5-8-18-10-13/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyFBACHNZFDACYNW-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.23
Rot. Bonds3

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

N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide (PubChem CID 104706035) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide
PubChem CID104706035
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide
SMILESCOC1(CNC(=O)N2CCC(C)CC2)CCOC1
InChIInChI=1S/C13H24N2O3/c1-11-3-6-15(7-4-11)12(16)14-9-13(17-2)5-8-18-10-13/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyFBACHNZFDACYNW-UHFFFAOYSA-N
XLogP1.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide
CID 106100321
1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102783026
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391339
N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104709004
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpyrrolidine-3-carboxamide
CID 104761454
(4R)-3-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 113450706
2-[ethyl-[1-[(1-methoxy-4-methylcyclohexyl)methylcarbamoyl]piperidin-4-yl]amino]acetic acid
CID 122012578
N-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide
CID 113450295
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid
CID 104764175
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 116657841

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide (CID 104706035) is N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide is COC1(CNC(=O)N2CCC(C)CC2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is FBACHNZFDACYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11-3-6-15(7-4-11)12(16)14-9-13(17-2)5-8-18-10-13/h11H,3-10H2,1-2H3,(H,14,16).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide?
N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 104706035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).