[(3R)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone

C19H36N4O — CID 166948270

IUPAC[(3R)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESCCN1C[C@H](C(=O)N2CCN(C3CCN(C)CC3)CC2)C(C)(C)C1
InChIInChI=1S/C19H36N4O/c1-5-21-14-17(19(2,3)15-21)18(24)23-12-10-22(11-13-23)16-6-8-20(4)9-7-16/h16-17H,5-15H2,1-4H3/t17-/m1/s1
InChIKeyAFIJAGXKQHNURZ-QGZVFWFLSA-N
MW336.52 g/mol
LogP1.20
Rot. Bonds3

About [(3R)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone

[(3R)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone (PubChem CID 166948270) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is [(3R)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
PubChem CID166948270
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC Name[(3R)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESCCN1C[C@H](C(=O)N2CCN(C3CCN(C)CC3)CC2)C(C)(C)C1
InChIInChI=1S/C19H36N4O/c1-5-21-14-17(19(2,3)15-21)18(24)23-12-10-22(11-13-23)16-6-8-20(4)9-7-16/h16-17H,5-15H2,1-4H3/t17-/m1/s1
InChIKeyAFIJAGXKQHNURZ-QGZVFWFLSA-N
XLogP1.20
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(1,4,4-trimethylpyrrolidin-3-yl)methanone
CID 169029207
[(3R)-1-amino-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166945972
(1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 169029279
3-(4-ethylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
CID 167027277
[(3R)-1-tert-butyl-4,4-dimethylpyrrolidin-3-yl]-[4-(4-methylcyclohexyl)piperazin-1-yl]methanone
CID 177134902
[(3R)-4,4-dimethyl-1-propan-2-ylpyrrolidin-3-yl]-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methanone
CID 176796888
[(3S)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone
CID 170185294
(1-aminoazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166945971
N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 70915121
[3-(methylamino)cyclobutyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166945999
ethane;4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 143900234
2-[(3S)-3-aminopyrrolidin-1-yl]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 68646735

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [(3R)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone (CID 166948270) is [(3R)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [(3R)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(3R)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone is CCN1C[C@H](C(=O)N2CCN(C3CCN(C)CC3)CC2)C(C)(C)C1.
What is the InChIKey of [(3R)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is AFIJAGXKQHNURZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H36N4O/c1-5-21-14-17(19(2,3)15-21)18(24)23-12-10-22(11-13-23)16-6-8-20(4)9-7-16/h16-17H,5-15H2,1-4H3/t17-/m1/s1.
What are the key properties of [(3R)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
[(3R)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 336.52 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 166948270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).