(3R)-4-[(1-benzylpiperidin-4-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione

C21H31N3O2 — CID 165424201

IUPAC(3R)-4-[(1-benzylpiperidin-4-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CC2CCN(Cc3ccccc3)CC2)[C@H](C)C1=O
InChIInChI=1S/C21H31N3O2/c1-3-11-23-16-20(25)24(17(2)21(23)26)15-19-9-12-22(13-10-19)14-18-7-5-4-6-8-18/h4-8,17,19H,3,9-16H2,1-2H3/t17-/m1/s1
InChIKeyOIDDEFIDMRUBBQ-QGZVFWFLSA-N
MW357.50 g/mol
LogP2.37
Rot. Bonds6

About (3R)-4-[(1-benzylpiperidin-4-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione

(3R)-4-[(1-benzylpiperidin-4-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione (PubChem CID 165424201) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (3R)-4-[(1-benzylpiperidin-4-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-4-[(1-benzylpiperidin-4-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
PubChem CID165424201
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name(3R)-4-[(1-benzylpiperidin-4-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CC2CCN(Cc3ccccc3)CC2)[C@H](C)C1=O
InChIInChI=1S/C21H31N3O2/c1-3-11-23-16-20(25)24(17(2)21(23)26)15-19-9-12-22(13-10-19)14-18-7-5-4-6-8-18/h4-8,17,19H,3,9-16H2,1-2H3/t17-/m1/s1
InChIKeyOIDDEFIDMRUBBQ-QGZVFWFLSA-N
XLogP2.37
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-4-[(1-benzylpiperidin-4-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione with MolForge

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Related Compounds

(3S)-4-(cyclohexylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 164689037
(3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione
CID 165423639
(3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione
CID 165426700
(3R)-3-methyl-4-[(2-phenylphenyl)methyl]-1-propylpiperazine-2,5-dione
CID 165420358
(3S)-1-benzyl-4-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
CID 165420575
5-[(1-benzylpiperidin-4-yl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 134077355
(3R)-1-benzyl-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 165421787
(3R)-3-methyl-1-(2-phenylethyl)-4-(3-phenylpropyl)piperazine-2,5-dione
CID 165419017
(3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165420754
(3R)-3-methyl-4-[(4-methylnaphthalen-1-yl)methyl]-1-propylpiperazine-2,5-dione
CID 165417469
(3S)-4-[(3-chloro-5-fluorophenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165426838
(3R)-4-(1,4-dioxepan-6-ylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione;formic acid
CID 166600136

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(1-benzylpiperidin-4-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione?
The IUPAC name of (3R)-4-[(1-benzylpiperidin-4-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione (CID 165424201) is (3R)-4-[(1-benzylpiperidin-4-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione.
What is the SMILES notation for (3R)-4-[(1-benzylpiperidin-4-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione?
The canonical SMILES for (3R)-4-[(1-benzylpiperidin-4-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione is CCCN1CC(=O)N(CC2CCN(Cc3ccccc3)CC2)[C@H](C)C1=O.
What is the InChIKey of (3R)-4-[(1-benzylpiperidin-4-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione?
The InChIKey is OIDDEFIDMRUBBQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-3-11-23-16-20(25)24(17(2)21(23)26)15-19-9-12-22(13-10-19)14-18-7-5-4-6-8-18/h4-8,17,19H,3,9-16H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-4-[(1-benzylpiperidin-4-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione?
(3R)-4-[(1-benzylpiperidin-4-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione has a molecular weight of 357.50 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(1-benzylpiperidin-4-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione is sourced from PubChem (CID 165424201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).