1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone

C21H33N3O — CID 95353092

IUPAC1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone
SMILESC[C@H](CN1CCN(CC(=O)N2CCCC[C@H]2C)CC1)c1ccccc1
InChIInChI=1S/C21H33N3O/c1-18(20-9-4-3-5-10-20)16-22-12-14-23(15-13-22)17-21(25)24-11-7-6-8-19(24)2/h3-5,9-10,18-19H,6-8,11-17H2,1-2H3/t18-,19-/m1/s1
InChIKeyLJZRZHHIPDYCFJ-RTBURBONSA-N
MW343.51 g/mol
LogP2.81
Rot. Bonds5

About 1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone

1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone (PubChem CID 95353092) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is 1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone
PubChem CID95353092
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone
SMILESC[C@H](CN1CCN(CC(=O)N2CCCC[C@H]2C)CC1)c1ccccc1
InChIInChI=1S/C21H33N3O/c1-18(20-9-4-3-5-10-20)16-22-12-14-23(15-13-22)17-21(25)24-11-7-6-8-19(24)2/h3-5,9-10,18-19H,6-8,11-17H2,1-2H3/t18-,19-/m1/s1
InChIKeyLJZRZHHIPDYCFJ-RTBURBONSA-N
XLogP2.81
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 8003679
1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56514843
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-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 99642062
(3R)-1-[(2S)-2-phenylpropyl]pyrrolidine-3-carboxylic acid
CID 129413679
[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883905
1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 55563722
1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-phenylimidazol-1-yl)propan-1-one
CID 75385943
N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 51632067
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 79410340
2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 37158782

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone (CID 95353092) is 1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone is C[C@H](CN1CCN(CC(=O)N2CCCC[C@H]2C)CC1)c1ccccc1.
What is the InChIKey of 1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone?
The InChIKey is LJZRZHHIPDYCFJ-RTBURBONSA-N. The full InChI is InChI=1S/C21H33N3O/c1-18(20-9-4-3-5-10-20)16-22-12-14-23(15-13-22)17-21(25)24-11-7-6-8-19(24)2/h3-5,9-10,18-19H,6-8,11-17H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of 1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone?
1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone has a molecular weight of 343.51 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 95353092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).