2-[3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide

C16H32N2O2 — CID 60645093

IUPAC2-[3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CN1CCCC(CO)C1
InChIInChI=1S/C16H32N2O2/c1-13(2)8-18(9-14(3)4)16(20)11-17-7-5-6-15(10-17)12-19/h13-15,19H,5-12H2,1-4H3
InChIKeyXROHNNYCSXHVSC-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.83
Rot. Bonds7

About 2-[3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide

2-[3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide (PubChem CID 60645093) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
PubChem CID60645093
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-[3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CN1CCCC(CO)C1
InChIInChI=1S/C16H32N2O2/c1-13(2)8-18(9-14(3)4)16(20)11-17-7-5-6-15(10-17)12-19/h13-15,19H,5-12H2,1-4H3
InChIKeyXROHNNYCSXHVSC-UHFFFAOYSA-N
XLogP1.83
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(hydroxymethyl)-1-piperidinyl]but-2-ynyl]-N-methylacetamide
CID 14896501
1-[3-(Hydroxymethyl)-1-piperidinyl]-3-methyl-1-butanone
CID 43422397
{1-[(4-Ethylpiperazin-1-yl)acetyl]-3-propylpiperidin-3-yl}methanol
CID 70772887
2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 109883516
2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 109883905
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 111750126
2-[3-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111750156
2-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 112416568
2-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112416668
1-(4-Acetylpiperazin-1-yl)-2-[3-fluoro-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 137842444
1-(3-(Hydroxymethyl)piperidin-1-yl)ethanone
CID 11805026
1-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 14043903

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide (CID 60645093) is 2-[3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide is CC(C)CN(CC(C)C)C(=O)CN1CCCC(CO)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is XROHNNYCSXHVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-13(2)8-18(9-14(3)4)16(20)11-17-7-5-6-15(10-17)12-19/h13-15,19H,5-12H2,1-4H3.
What are the key properties of 2-[3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide?
2-[3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 284.44 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 60645093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).