[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C14H17Cl2N3O2 — CID 51160163

IUPAC[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H17Cl2N3O2/c15-10-8-11(16)13(17-9-10)18-3-5-19(6-4-18)14(20)12-2-1-7-21-12/h8-9,12H,1-7H2
InChIKeyKECIUHZVGCMNPD-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.22
Rot. Bonds2

About [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 51160163) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID51160163
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H17Cl2N3O2/c15-10-8-11(16)13(17-9-10)18-3-5-19(6-4-18)14(20)12-2-1-7-21-12/h8-9,12H,1-7H2
InChIKeyKECIUHZVGCMNPD-UHFFFAOYSA-N
XLogP2.22
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-amino-5-chloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 83970308
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113080191
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587175
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247457
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971476
4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674391
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
5-bromo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171992775
1-[4-(3,5-dichloro-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 166604874
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
CID 119844358
[4-(3,5-dichloro-2-pyridinyl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163347989
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120938823

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 51160163) is [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(c2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is KECIUHZVGCMNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c15-10-8-11(16)13(17-9-10)18-3-5-19(6-4-18)14(20)12-2-1-7-21-12/h8-9,12H,1-7H2.
What are the key properties of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 330.22 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 51160163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).