[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone

C17H26ClN5O — CID 72577389

IUPAC[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone
SMILESCC(C)N1CCNC(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)C1
InChIInChI=1S/C17H26ClN5O/c1-13(2)23-6-5-19-15(12-23)17(24)22-9-7-21(8-10-22)16-4-3-14(18)11-20-16/h3-4,11,13,15,19H,5-10,12H2,1-2H3
InChIKeyUVXBYLMMHZIEFW-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.07
Rot. Bonds3

About [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone

[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone (PubChem CID 72577389) has the molecular formula C17H26ClN5O and a molecular weight of 351.88 g/mol. Its IUPAC name is [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone
PubChem CID72577389
Molecular FormulaC17H26ClN5O
Molecular Weight351.88 g/mol
Exact Mass351.18
IUPAC Name[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone
SMILESCC(C)N1CCNC(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)C1
InChIInChI=1S/C17H26ClN5O/c1-13(2)23-6-5-19-15(12-23)17(24)22-9-7-21(8-10-22)16-4-3-14(18)11-20-16/h3-4,11,13,15,19H,5-10,12H2,1-2H3
InChIKeyUVXBYLMMHZIEFW-UHFFFAOYSA-N
XLogP1.07
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3,4-difluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone;ethane
CID 143491994
[(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 59846079
[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone
CID 141317152
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid
CID 94781788
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120634302
[(2R)-4-(1-cyclopropylethyl)piperazin-2-yl]-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
CID 141317150
(3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine
CID 94450635
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone
CID 122156291
1-[6-[(3R)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone
CID 95716273
4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide
CID 75464207
4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]piperazine-1-carboxamide
CID 125447527
1-azabicyclo[2.2.2]octan-2-yl-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 138806991

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone?
The IUPAC name of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone (CID 72577389) is [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone.
What is the SMILES notation for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone?
The canonical SMILES for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone is CC(C)N1CCNC(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)C1.
What is the InChIKey of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone?
The InChIKey is UVXBYLMMHZIEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN5O/c1-13(2)23-6-5-19-15(12-23)17(24)22-9-7-21(8-10-22)16-4-3-14(18)11-20-16/h3-4,11,13,15,19H,5-10,12H2,1-2H3.
What are the key properties of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone?
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone has a molecular weight of 351.88 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone is sourced from PubChem (CID 72577389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).