1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

C15H28N2O3 — CID 111976631

IUPAC1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(CC2(CO)COC2)CC1
InChIInChI=1S/C15H28N2O3/c1-12(2)16(3)14(19)13-4-6-17(7-5-13)8-15(9-18)10-20-11-15/h12-13,18H,4-11H2,1-3H3
InChIKeyHRBXZDZWDUBSLJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.57
Rot. Bonds5

About 1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 111976631) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID111976631
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(CC2(CO)COC2)CC1
InChIInChI=1S/C15H28N2O3/c1-12(2)16(3)14(19)13-4-6-17(7-5-13)8-15(9-18)10-20-11-15/h12-13,18H,4-11H2,1-3H3
InChIKeyHRBXZDZWDUBSLJ-UHFFFAOYSA-N
XLogP0.57
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 87016849
[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391366
N-cyclohexyl-4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazine-1-carboxamide
CID 97056130
1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 87012543
[1-[(4-methylpiperidin-1-yl)methyl]cyclopropyl]methanol
CID 82111584
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 37459118
N-methyl-1-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 37461814
N,N-dimethyl-1-(2-methylpropyl)piperidine-4-carboxamide
CID 59603411
1-(methylamino)-4-[methyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 115151399
[3-[[methyl-(1-propylpiperidin-4-yl)amino]methyl]oxetan-3-yl]methanol
CID 111976746
[4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391544
[3-[[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methyl]oxetan-3-yl]methanol
CID 111976723

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (CID 111976631) is 1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is CC(C)N(C)C(=O)C1CCN(CC2(CO)COC2)CC1.
What is the InChIKey of 1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is HRBXZDZWDUBSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12(2)16(3)14(19)13-4-6-17(7-5-13)8-15(9-18)10-20-11-15/h12-13,18H,4-11H2,1-3H3.
What are the key properties of 1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 111976631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).