N-[1-butan-2-yl-5-(1-hydroxypropyl)piperidin-3-yl]acetamide

C14H28N2O2 — CID 112541903

IUPACN-[1-butan-2-yl-5-(1-hydroxypropyl)piperidin-3-yl]acetamide
SMILESCCC(O)C1CC(NC(C)=O)CN(C(C)CC)C1
InChIInChI=1S/C14H28N2O2/c1-5-10(3)16-8-12(14(18)6-2)7-13(9-16)15-11(4)17/h10,12-14,18H,5-9H2,1-4H3,(H,15,17)
InChIKeyOJKIMVRHEOLWFN-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.38
Rot. Bonds5

About N-[1-butan-2-yl-5-(1-hydroxypropyl)piperidin-3-yl]acetamide

N-[1-butan-2-yl-5-(1-hydroxypropyl)piperidin-3-yl]acetamide (PubChem CID 112541903) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[1-butan-2-yl-5-(1-hydroxypropyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-butan-2-yl-5-(1-hydroxypropyl)piperidin-3-yl]acetamide
PubChem CID112541903
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[1-butan-2-yl-5-(1-hydroxypropyl)piperidin-3-yl]acetamide
SMILESCCC(O)C1CC(NC(C)=O)CN(C(C)CC)C1
InChIInChI=1S/C14H28N2O2/c1-5-10(3)16-8-12(14(18)6-2)7-13(9-16)15-11(4)17/h10,12-14,18H,5-9H2,1-4H3,(H,15,17)
InChIKeyOJKIMVRHEOLWFN-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-butan-2-yl-5-(1-hydroxypropyl)piperidin-3-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-[1-ethyl-5-(1-hydroxyethyl)piperidin-3-yl]acetamide
CID 112541682
N-[5-(1-hydroxypropyl)-1-propylpiperidin-3-yl]-2-methylpropanamide
CID 112542596
methyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxylate
CID 112542661
N-(1-propanoyl-5-propan-2-ylpiperidin-3-yl)acetamide
CID 112541818
N-(3-propan-2-ylcyclobutyl)acetamide
CID 59410589
1-butan-2-yl-N-methylazetidin-3-amine
CID 117002866
N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542345
N-[2-[3-acetamido-5-(1-hydroxyethyl)piperidin-1-yl]ethyl]acetamide
CID 112542079
N-[1-(1-cyclopropylethyl)-5-(cyclopropylmethyl)piperidin-3-yl]acetamide
CID 112541988
tert-butyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112544588
ethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112543950
1-[1-(1-cyclopropylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992553

Frequently Asked Questions

What is the IUPAC name of N-[1-butan-2-yl-5-(1-hydroxypropyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-butan-2-yl-5-(1-hydroxypropyl)piperidin-3-yl]acetamide (CID 112541903) is N-[1-butan-2-yl-5-(1-hydroxypropyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-butan-2-yl-5-(1-hydroxypropyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-butan-2-yl-5-(1-hydroxypropyl)piperidin-3-yl]acetamide is CCC(O)C1CC(NC(C)=O)CN(C(C)CC)C1.
What is the InChIKey of N-[1-butan-2-yl-5-(1-hydroxypropyl)piperidin-3-yl]acetamide?
The InChIKey is OJKIMVRHEOLWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-10(3)16-8-12(14(18)6-2)7-13(9-16)15-11(4)17/h10,12-14,18H,5-9H2,1-4H3,(H,15,17).
What are the key properties of N-[1-butan-2-yl-5-(1-hydroxypropyl)piperidin-3-yl]acetamide?
N-[1-butan-2-yl-5-(1-hydroxypropyl)piperidin-3-yl]acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-butan-2-yl-5-(1-hydroxypropyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 112541903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).