2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

C17H25ClN4O — CID 133351714

IUPAC2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CN1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C17H25ClN4O/c1-14-4-2-3-7-22(14)17(23)13-20-8-10-21(11-9-20)16-5-6-19-12-15(16)18/h5-6,12,14H,2-4,7-11,13H2,1H3
InChIKeyDTVBCJHDJWLSKR-UHFFFAOYSA-N
MW336.87 g/mol
LogP2.26
Rot. Bonds3

About 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 133351714) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID133351714
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC Name2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CN1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C17H25ClN4O/c1-14-4-2-3-7-22(14)17(23)13-20-8-10-21(11-9-20)16-5-6-19-12-15(16)18/h5-6,12,14H,2-4,7-11,13H2,1H3
InChIKeyDTVBCJHDJWLSKR-UHFFFAOYSA-N
XLogP2.26
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 92987749
1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(1R)-1-pyridin-4-ylethyl]piperazin-1-yl]ethanone
CID 95204864
2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 95157459
1-(2-methylpiperidin-1-yl)-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 164633722
2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 95633290
1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]ethanone
CID 36904859
1-(2-methylpiperidin-1-yl)-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanone
CID 42949561
2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 134001219
2-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 97092305
1-(2-methylpiperidin-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 46571384
2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 133351756
4-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzamide
CID 55566365

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (CID 133351714) is 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)CN1CCN(c2ccncc2Cl)CC1.
What is the InChIKey of 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is DTVBCJHDJWLSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O/c1-14-4-2-3-7-22(14)17(23)13-20-8-10-21(11-9-20)16-5-6-19-12-15(16)18/h5-6,12,14H,2-4,7-11,13H2,1H3.
What are the key properties of 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 336.87 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 133351714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).