[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone

C22H25ClN4O3 — CID 56584912

IUPAC[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1cnc(N2CCN(C(=O)c3ccccc3O)CC2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C22H25ClN4O3/c23-18-14-16(21(29)26-8-4-1-5-9-26)15-24-20(18)25-10-12-27(13-11-25)22(30)17-6-2-3-7-19(17)28/h2-3,6-7,14-15,28H,1,4-5,8-13H2
InChIKeyXTVBZHYXBUJCCM-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.03
Rot. Bonds3

About [4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone

[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone (PubChem CID 56584912) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is [4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
PubChem CID56584912
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1cnc(N2CCN(C(=O)c3ccccc3O)CC2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C22H25ClN4O3/c23-18-14-16(21(29)26-8-4-1-5-9-26)15-24-20(18)25-10-12-27(13-11-25)22(30)17-6-2-3-7-19(17)28/h2-3,6-7,14-15,28H,1,4-5,8-13H2
InChIKeyXTVBZHYXBUJCCM-UHFFFAOYSA-N
XLogP3.03
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone with MolForge

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Related Compounds

[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 133270887
[5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270898
[5-chloro-6-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133327550
[6-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone
CID 133322869
[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 39711919
[5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10320691
[5-chloro-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10320294
(5-chloro-6-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 10046387
[5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271248
[5-chloro-6-[4-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 167831126
[6-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone
CID 133309019
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-naphthalen-1-ylmethanone
CID 46679955

Frequently Asked Questions

What is the IUPAC name of [4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone (CID 56584912) is [4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone is O=C(c1cnc(N2CCN(C(=O)c3ccccc3O)CC2)c(Cl)c1)N1CCCCC1.
What is the InChIKey of [4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is XTVBZHYXBUJCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c23-18-14-16(21(29)26-8-4-1-5-9-26)15-24-20(18)25-10-12-27(13-11-25)22(30)17-6-2-3-7-19(17)28/h2-3,6-7,14-15,28H,1,4-5,8-13H2.
What are the key properties of [4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone?
[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 428.92 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 56584912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).