[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone

C16H23ClN4O — CID 120634302

IUPAC[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCN(c3ccc(Cl)cn3)CC2)CCN1
InChIInChI=1S/C16H23ClN4O/c1-12-10-13(4-5-18-12)16(22)21-8-6-20(7-9-21)15-3-2-14(17)11-19-15/h2-3,11-13,18H,4-10H2,1H3/t12-,13-/m0/s1
InChIKeyNZRDKZPDHQXFCY-STQMWFEESA-N
MW322.84 g/mol
LogP1.77
Rot. Bonds2

About [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone

[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone (PubChem CID 120634302) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
PubChem CID120634302
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC Name[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCN(c3ccc(Cl)cn3)CC2)CCN1
InChIInChI=1S/C16H23ClN4O/c1-12-10-13(4-5-18-12)16(22)21-8-6-20(7-9-21)15-3-2-14(17)11-19-15/h2-3,11-13,18H,4-10H2,1H3/t12-,13-/m0/s1
InChIKeyNZRDKZPDHQXFCY-STQMWFEESA-N
XLogP1.77
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone with MolForge

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Related Compounds

[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 120631278
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 120632592
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120631405
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone
CID 122156291
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone
CID 55876732
1-azabicyclo[2.2.2]octan-2-yl-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 138806991
(2S,4S)-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 120632060
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone
CID 72577389
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
(3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine
CID 94450635
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602453
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The IUPAC name of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone (CID 120634302) is [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone.
What is the SMILES notation for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The canonical SMILES for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone is C[C@H]1C[C@@H](C(=O)N2CCN(c3ccc(Cl)cn3)CC2)CCN1.
What is the InChIKey of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The InChIKey is NZRDKZPDHQXFCY-STQMWFEESA-N. The full InChI is InChI=1S/C16H23ClN4O/c1-12-10-13(4-5-18-12)16(22)21-8-6-20(7-9-21)15-3-2-14(17)11-19-15/h2-3,11-13,18H,4-10H2,1H3/t12-,13-/m0/s1.
What are the key properties of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone has a molecular weight of 322.84 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone is sourced from PubChem (CID 120634302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).