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

C16H32N2O2 — CID 60670027

IUPACN,N-dibutyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESCCCCN(CCCC)C(=O)CN1CCCC(CO)C1
InChIInChI=1S/C16H32N2O2/c1-3-5-10-18(11-6-4-2)16(20)13-17-9-7-8-15(12-17)14-19/h15,19H,3-14H2,1-2H3
InChIKeyKTPYBLWVZLIVMX-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.12
Rot. Bonds9

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

N,N-dibutyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide (PubChem CID 60670027) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N,N-dibutyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
PubChem CID60670027
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN,N-dibutyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESCCCCN(CCCC)C(=O)CN1CCCC(CO)C1
InChIInChI=1S/C16H32N2O2/c1-3-5-10-18(11-6-4-2)16(20)13-17-9-7-8-15(12-17)14-19/h15,19H,3-14H2,1-2H3
InChIKeyKTPYBLWVZLIVMX-UHFFFAOYSA-N
XLogP2.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dibutyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 N,N-dibutyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N,N-dibutyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide (CID 60670027) is N,N-dibutyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-dibutyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N,N-dibutyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide is CCCCN(CCCC)C(=O)CN1CCCC(CO)C1.
What is the InChIKey of N,N-dibutyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
The InChIKey is KTPYBLWVZLIVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-5-10-18(11-6-4-2)16(20)13-17-9-7-8-15(12-17)14-19/h15,19H,3-14H2,1-2H3.
What are the key properties of N,N-dibutyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
N,N-dibutyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide has a molecular weight of 284.44 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 60670027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).