N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide

C11H20N2O3 — CID 43422465

IUPACN-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCCC(CO)C1
InChIInChI=1S/C11H20N2O3/c1-9(15)12-5-4-11(16)13-6-2-3-10(7-13)8-14/h10,14H,2-8H2,1H3,(H,12,15)
InChIKeyZPUWGLPLKMAKEH-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.26
Rot. Bonds4

About N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide

N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide (PubChem CID 43422465) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide
PubChem CID43422465
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCCC(CO)C1
InChIInChI=1S/C11H20N2O3/c1-9(15)12-5-4-11(16)13-6-2-3-10(7-13)8-14/h10,14H,2-8H2,1H3,(H,12,15)
InChIKeyZPUWGLPLKMAKEH-UHFFFAOYSA-N
XLogP-0.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(ethoxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 110610301
N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide
CID 107224919
(3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid
CID 81125297
4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 93204224
1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid
CID 115918220
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 112625056
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 43403339
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 43422304
5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 43590262
ethyl 4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoate
CID 43422393
2-[1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidin-3-yl]acetic acid
CID 62689900
3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43422447

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide (CID 43422465) is N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide is CC(=O)NCCC(=O)N1CCCC(CO)C1.
What is the InChIKey of N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide?
The InChIKey is ZPUWGLPLKMAKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-9(15)12-5-4-11(16)13-6-2-3-10(7-13)8-14/h10,14H,2-8H2,1H3,(H,12,15).
What are the key properties of N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide?
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 228.29 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 43422465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).