N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide

C10H18N2O3 — CID 107224919

IUPACN-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C10H18N2O3/c1-8(13)11-5-4-10(15)12-6-2-3-9(14)7-12/h9,14H,2-7H2,1H3,(H,11,13)/t9-/m0/s1
InChIKeyKCCGHRQLXJUCPN-VIFPVBQESA-N
MW214.26 g/mol
LogP-0.50
Rot. Bonds3

About N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide

N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide (PubChem CID 107224919) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide
PubChem CID107224919
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C10H18N2O3/c1-8(13)11-5-4-10(15)12-6-2-3-9(14)7-12/h9,14H,2-7H2,1H3,(H,11,13)/t9-/m0/s1
InChIKeyKCCGHRQLXJUCPN-VIFPVBQESA-N
XLogP-0.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]acetamide
CID 63107332
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 43422465
(3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid
CID 81125297
1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 60852155
N-[3-[3-(ethoxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 110610301
1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759
1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid
CID 115918220
N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 66291157
N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide
CID 62917262
1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
CID 94842553
1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one
CID 110935763
3-(3-hydroxypiperidin-1-yl)-3-oxopropanoic acid
CID 62232255

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide (CID 107224919) is N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide is CC(=O)NCCC(=O)N1CCC[C@H](O)C1.
What is the InChIKey of N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide?
The InChIKey is KCCGHRQLXJUCPN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N2O3/c1-8(13)11-5-4-10(15)12-6-2-3-9(14)7-12/h9,14H,2-7H2,1H3,(H,11,13)/t9-/m0/s1.
What are the key properties of N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide?
N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 214.26 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 107224919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).