N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide

C12H24N2O2 — CID 111112773

IUPACN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
SMILESCCC(=O)NCC(O)CN1CCC(C)CC1
InChIInChI=1S/C12H24N2O2/c1-3-12(16)13-8-11(15)9-14-6-4-10(2)5-7-14/h10-11,15H,3-9H2,1-2H3,(H,13,16)
InChIKeyREMKPCGVYBYDGF-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.61
Rot. Bonds5

About N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide (PubChem CID 111112773) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
PubChem CID111112773
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
SMILESCCC(=O)NCC(O)CN1CCC(C)CC1
InChIInChI=1S/C12H24N2O2/c1-3-12(16)13-8-11(15)9-14-6-4-10(2)5-7-14/h10-11,15H,3-9H2,1-2H3,(H,13,16)
InChIKeyREMKPCGVYBYDGF-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylpentan-2-yl)urea
CID 111111407
1-butyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 56785064
1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 95617929
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide
CID 111439988
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,5-dimethylcyclohexane-1-carboxamide
CID 110020943
2-cyclopentyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butanamide
CID 111422434
1-cycloheptyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111111362
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-phenylbutanamide
CID 111112699
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(5-methylthiophen-2-yl)acetamide
CID 111422497
4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111422376
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
CID 111112795
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 111422512

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide?
The IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide (CID 111112773) is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide is CCC(=O)NCC(O)CN1CCC(C)CC1.
What is the InChIKey of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide?
The InChIKey is REMKPCGVYBYDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-12(16)13-8-11(15)9-14-6-4-10(2)5-7-14/h10-11,15H,3-9H2,1-2H3,(H,13,16).
What are the key properties of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide?
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide is sourced from PubChem (CID 111112773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).