1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]pyridin-2-one

C14H21N3O3 — CID 43427927

IUPAC1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCN(CCO)CC1
InChIInChI=1S/C14H21N3O3/c18-12-11-15-7-9-17(10-8-15)14(20)4-6-16-5-2-1-3-13(16)19/h1-3,5,18H,4,6-12H2
InChIKeyOCYQPPFEJREXDL-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.63
Rot. Bonds5

About 1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]pyridin-2-one

1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]pyridin-2-one (PubChem CID 43427927) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]pyridin-2-one
PubChem CID43427927
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCN(CCO)CC1
InChIInChI=1S/C14H21N3O3/c18-12-11-15-7-9-17(10-8-15)14(20)4-6-16-5-2-1-3-13(16)19/h1-3,5,18H,4,6-12H2
InChIKeyOCYQPPFEJREXDL-UHFFFAOYSA-N
XLogP-0.63
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 103857302
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 107482583
1-[2-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 110885018
1-[2-Hydroxy-3-(2-oxo-1-pyridinyl)propyl]pyridin-2-one
CID 57260124
(2E,4E)-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexa-2,4-dien-1-one
CID 13405157
1-(2-Hydroxy-2-morpholin-4-ylethyl)pyridin-2-one
CID 24741264
3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 43416387
4-[4-(2-Hydroxyethyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 43417264
1-[3-(3-Hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 43427929
2-[4-[3-(2-Oxo-1-pyridinyl)propanoyl]piperazin-1-yl]acetic acid
CID 43521363
N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide
CID 43573588
5-Amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 43575214

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]pyridin-2-one (CID 43427927) is 1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]pyridin-2-one is O=C(CCn1ccccc1=O)N1CCN(CCO)CC1.
What is the InChIKey of 1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]pyridin-2-one?
The InChIKey is OCYQPPFEJREXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c18-12-11-15-7-9-17(10-8-15)14(20)4-6-16-5-2-1-3-13(16)19/h1-3,5,18H,4,6-12H2.
What are the key properties of 1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]pyridin-2-one?
1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]pyridin-2-one has a molecular weight of 279.34 g/mol, XLogP of -0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 43427927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).