1-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]-2-methoxyethanone

C15H29N3O2 — CID 97039566

IUPAC1-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(CN2CCN(C)C[C@@H]2C)CC1
InChIInChI=1S/C15H29N3O2/c1-13-10-16(2)8-9-18(13)11-14-4-6-17(7-5-14)15(19)12-20-3/h13-14H,4-12H2,1-3H3/t13-/m0/s1
InChIKeyRPLSEBHFIUYWPP-ZDUSSCGKSA-N
MW283.42 g/mol
LogP0.51
Rot. Bonds4

About 1-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]-2-methoxyethanone

1-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 97039566) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]-2-methoxyethanone
PubChem CID97039566
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(CN2CCN(C)C[C@@H]2C)CC1
InChIInChI=1S/C15H29N3O2/c1-13-10-16(2)8-9-18(13)11-14-4-6-17(7-5-14)15(19)12-20-3/h13-14H,4-12H2,1-3H3/t13-/m0/s1
InChIKeyRPLSEBHFIUYWPP-ZDUSSCGKSA-N
XLogP0.51
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

US10927128, Example 49
CID 135332689
US10927128, Example 2
CID 135332709
US10927128, Example 56
CID 135332756
US10927128, Example 53
CID 135332757
US11649248, Example 59
CID 156290271
1-[1-[2-(Dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
CID 97491891
1-[1-[2-(Dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-ethoxyethanone
CID 97491892
1-[4-(Cyclohexylmethyl)piperazin-1-yl]-2-methoxyethanone
CID 51081907
2-Methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 53517550
2-[1-(2-Methoxyethyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 56804672
4-[2-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one
CID 164633272
1-(4-(Morpholinomethyl)piperidin-1-yl)ethanone
CID 60773960

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]-2-methoxyethanone (CID 97039566) is 1-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(CN2CCN(C)C[C@@H]2C)CC1.
What is the InChIKey of 1-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is RPLSEBHFIUYWPP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-13-10-16(2)8-9-18(13)11-14-4-6-17(7-5-14)15(19)12-20-3/h13-14H,4-12H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]-2-methoxyethanone?
1-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 283.42 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 97039566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).