3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid

C12H20N2O5 — CID 55049640

IUPAC3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid
SMILESO=C(O)CC(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C12H20N2O5/c15-7-1-4-13-12(19)9-2-5-14(6-3-9)10(16)8-11(17)18/h9,15H,1-8H2,(H,13,19)(H,17,18)
InChIKeyJCEUWVGNHYYNFP-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.80
Rot. Bonds6

About 3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid

3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid (PubChem CID 55049640) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid
PubChem CID55049640
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid
SMILESO=C(O)CC(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C12H20N2O5/c15-7-1-4-13-12(19)9-2-5-14(6-3-9)10(16)8-11(17)18/h9,15H,1-8H2,(H,13,19)(H,17,18)
InChIKeyJCEUWVGNHYYNFP-UHFFFAOYSA-N
XLogP-0.80
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 43392702
1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61059999
N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60953607
1-[3-(ethylamino)propanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 62835714
N-butyl-1-(4-hydroxybutanoyl)piperidine-4-carboxamide
CID 79205196
(E)-4-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 60951820
1-(1-aminocyclopentanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 60954087
1-(1-aminocyclobutanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 81172556
1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 93376438
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
1-[1-(aminomethyl)cyclopropanecarbonyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 115452950
3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid
CID 60951236

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid?
The IUPAC name of 3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid (CID 55049640) is 3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid.
What is the SMILES notation for 3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid?
The canonical SMILES for 3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid is O=C(O)CC(=O)N1CCC(C(=O)NCCCO)CC1.
What is the InChIKey of 3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid?
The InChIKey is JCEUWVGNHYYNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c15-7-1-4-13-12(19)9-2-5-14(6-3-9)10(16)8-11(17)18/h9,15H,1-8H2,(H,13,19)(H,17,18).
What are the key properties of 3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid?
3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid has a molecular weight of 272.30 g/mol, XLogP of -0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid is sourced from PubChem (CID 55049640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).