(5-chloro-2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C17H18ClN3O2 — CID 975496

IUPAC(5-chloro-2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H18ClN3O2/c1-23-15-6-5-13(18)12-14(15)17(22)21-10-8-20(9-11-21)16-4-2-3-7-19-16/h2-7,12H,8-11H2,1H3
InChIKeyQABSANMQMALING-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.71
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(5-chloro-2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 975496) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID975496
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name(5-chloro-2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H18ClN3O2/c1-23-15-6-5-13(18)12-14(15)17(22)21-10-8-20(9-11-21)16-4-2-3-7-19-16/h2-7,12H,8-11H2,1H3
InChIKeyQABSANMQMALING-UHFFFAOYSA-N
XLogP2.71
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
3-Chloro-4-[4-(4-pyridin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
CID 15490956
(3-Methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 790124
1-(5-Chloropyridin-2-yl)-3-[2-(3-acetyl-6-fluoro-2-methoxyphenyl)ethyl]urea
CID 475282
(4-Ethoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 891507
5-chloro-N-(2-chloropyridin-3-yl)-2-methoxybenzamide
CID 3154652
N-{2-[4-(5-Chloro-pyridin-2-yl)-piperazin-1-yl]-ethyl}-3-methoxy-benzamide
CID 44369020
1-{3-[(2,4-Dichlorophenoxy)methyl]benzoyl}-4-(2-pyridinyl)piperazine
CID 1314815
2-methoxy-N-(2-pyridinyl)benzamide
CID 689500
2-[3-[3-Chloro-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]propoxy]guanidine
CID 18322175
3-Chloro-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
CID 18327916
3-Methyl-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
CID 18328103

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 975496) is (5-chloro-2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is COc1ccc(Cl)cc1C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is QABSANMQMALING-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-23-15-6-5-13(18)12-14(15)17(22)21-10-8-20(9-11-21)16-4-2-3-7-19-16/h2-7,12H,8-11H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(5-chloro-2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 331.80 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 975496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).