[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone

C15H23N3O3 — CID 95613674

IUPAC[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCCOC[C@H](O)CN1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C15H23N3O3/c1-2-21-12-14(19)11-17-7-9-18(10-8-17)15(20)13-3-5-16-6-4-13/h3-6,14,19H,2,7-12H2,1H3/t14-/m1/s1
InChIKeyTXMZWRSTQUWTBG-CQSZACIVSA-N
MW293.37 g/mol
LogP0.24
Rot. Bonds6

About [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone

[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 95613674) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID95613674
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCCOC[C@H](O)CN1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C15H23N3O3/c1-2-21-12-14(19)11-17-7-9-18(10-8-17)15(20)13-3-5-16-6-4-13/h3-6,14,19H,2,7-12H2,1H3/t14-/m1/s1
InChIKeyTXMZWRSTQUWTBG-CQSZACIVSA-N
XLogP0.24
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 95322537
[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 56803163
[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 95347650
[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110884353
(2,4-difluorophenyl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95328976
2-[4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carbonyl]thiophene-3-carbonitrile
CID 56803156
2-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazine-1-carbonyl]thiophene-3-carbonitrile
CID 95613707
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95759484
(2-chloro-4-fluorophenyl)-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95322496
1-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 95322523
1-benzothiophen-2-yl-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95613755
(2R)-1-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-2-phenoxypropan-1-one
CID 95341869

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone (CID 95613674) is [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone is CCOC[C@H](O)CN1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is TXMZWRSTQUWTBG-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-21-12-14(19)11-17-7-9-18(10-8-17)15(20)13-3-5-16-6-4-13/h3-6,14,19H,2,7-12H2,1H3/t14-/m1/s1.
What are the key properties of [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone?
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 293.37 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 95613674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).