2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide

C12H24N2O2 — CID 62020613

IUPAC2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCCCC1CO
InChIInChI=1S/C12H24N2O2/c1-3-7-13-12(16)10(2)14-8-5-4-6-11(14)9-15/h10-11,15H,3-9H2,1-2H3,(H,13,16)
InChIKeyDDMFZHGMUIENHA-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.75
Rot. Bonds5

About 2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide

2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide (PubChem CID 62020613) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide
PubChem CID62020613
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCCCC1CO
InChIInChI=1S/C12H24N2O2/c1-3-7-13-12(16)10(2)14-8-5-4-6-11(14)9-15/h10-11,15H,3-9H2,1-2H3,(H,13,16)
InChIKeyDDMFZHGMUIENHA-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide 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-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62015104
2-[2-(hydroxymethyl)piperidin-1-yl]propanehydrazide
CID 63583148
2-[2-(aminomethyl)azepan-1-yl]-N-butylpropanamide
CID 116640561
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 62015297
N-butyl-2-[2-(2-oxopropyl)piperidin-1-yl]propanamide
CID 79539809
2-[2-(aminomethyl)azepan-1-yl]-N-pentylpropanamide
CID 116640455
methyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate
CID 115537824
N-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide
CID 79560458
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide
CID 66260630
N-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 79028212
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 66261743
2-(hydroxymethyl)-N-propylpiperidine-1-carboxamide
CID 43574129

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide?
The IUPAC name of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide (CID 62020613) is 2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide?
The canonical SMILES for 2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide is CCCNC(=O)C(C)N1CCCCC1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide?
The InChIKey is DDMFZHGMUIENHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-7-13-12(16)10(2)14-8-5-4-6-11(14)9-15/h10-11,15H,3-9H2,1-2H3,(H,13,16).
What are the key properties of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide?
2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide is sourced from PubChem (CID 62020613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).