[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone

C14H18ClN3O3 — CID 56798652

IUPAC[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone
SMILESO=C(C1COCCO1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C14H18ClN3O3/c15-11-2-1-3-16-13(11)17-4-6-18(7-5-17)14(19)12-10-20-8-9-21-12/h1-3,12H,4-10H2
InChIKeyJIXSTXFPJDNMIJ-UHFFFAOYSA-N
MW311.77 g/mol
LogP0.80
Rot. Bonds2

About [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone

[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone (PubChem CID 56798652) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone
PubChem CID56798652
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone
SMILESO=C(C1COCCO1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C14H18ClN3O3/c15-11-2-1-3-16-13(11)17-4-6-18(7-5-17)14(19)12-10-20-8-9-21-12/h1-3,12H,4-10H2
InChIKeyJIXSTXFPJDNMIJ-UHFFFAOYSA-N
XLogP0.80
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,3S)-3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065880
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587175
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 55647596
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51160163
(4R)-4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one
CID 94525523
1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 99971048
(2S)-2-amino-1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-methylbutan-1-one
CID 167772896
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357788
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
methyl 4-(3-chloro-2-pyridinyl)morpholine-3-carboxylate
CID 104775121
(4S)-4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 94178191
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247457

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone?
The IUPAC name of [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone (CID 56798652) is [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone.
What is the SMILES notation for [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone?
The canonical SMILES for [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone is O=C(C1COCCO1)N1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone?
The InChIKey is JIXSTXFPJDNMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c15-11-2-1-3-16-13(11)17-4-6-18(7-5-17)14(19)12-10-20-8-9-21-12/h1-3,12H,4-10H2.
What are the key properties of [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone?
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone has a molecular weight of 311.77 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone is sourced from PubChem (CID 56798652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).