(4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C14H14ClN3OS — CID 110854869

IUPAC(4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Cl)cs1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H14ClN3OS/c15-11-9-12(20-10-11)14(19)18-7-5-17(6-8-18)13-3-1-2-4-16-13/h1-4,9-10H,5-8H2
InChIKeyFNYVXFRQYBJQEP-UHFFFAOYSA-N
MW307.81 g/mol
LogP2.76
Rot. Bonds2

About (4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 110854869) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is (4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID110854869
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name(4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Cl)cs1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H14ClN3OS/c15-11-9-12(20-10-11)14(19)18-7-5-17(6-8-18)13-3-1-2-4-16-13/h1-4,9-10H,5-8H2
InChIKeyFNYVXFRQYBJQEP-UHFFFAOYSA-N
XLogP2.76
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110414643
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
(2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 885844
1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride
CID 2933523
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
(4-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 68701618
(4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854807
(4-pyridin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203865
(3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 131917647
(2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 68801528
[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 112790787
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556

Frequently Asked Questions

What is the IUPAC name of (4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 110854869) is (4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cc(Cl)cs1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FNYVXFRQYBJQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c15-11-9-12(20-10-11)14(19)18-7-5-17(6-8-18)13-3-1-2-4-16-13/h1-4,9-10H,5-8H2.
What are the key properties of (4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 307.81 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 110854869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).