[(2R)-2-ethyl-4-(2-methylpropyl)piperazin-1-yl]-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanone

C18H35N3O — CID 170184751

IUPAC[(2R)-2-ethyl-4-(2-methylpropyl)piperazin-1-yl]-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanone
SMILESCC[C@@H]1CN(CC(C)C)CCN1C(=O)[C@@H]1CCN(C(C)C)C1
InChIInChI=1S/C18H35N3O/c1-6-17-13-19(11-14(2)3)9-10-21(17)18(22)16-7-8-20(12-16)15(4)5/h14-17H,6-13H2,1-5H3/t16-,17-/m1/s1
InChIKeyVNORWYLWXVWZHF-IAGOWNOFSA-N
MW309.50 g/mol
LogP2.30
Rot. Bonds5

About [(2R)-2-ethyl-4-(2-methylpropyl)piperazin-1-yl]-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanone

[(2R)-2-ethyl-4-(2-methylpropyl)piperazin-1-yl]-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanone (PubChem CID 170184751) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is [(2R)-2-ethyl-4-(2-methylpropyl)piperazin-1-yl]-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-ethyl-4-(2-methylpropyl)piperazin-1-yl]-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanone
PubChem CID170184751
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Name[(2R)-2-ethyl-4-(2-methylpropyl)piperazin-1-yl]-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanone
SMILESCC[C@@H]1CN(CC(C)C)CCN1C(=O)[C@@H]1CCN(C(C)C)C1
InChIInChI=1S/C18H35N3O/c1-6-17-13-19(11-14(2)3)9-10-21(17)18(22)16-7-8-20(12-16)15(4)5/h14-17H,6-13H2,1-5H3/t16-,17-/m1/s1
InChIKeyVNORWYLWXVWZHF-IAGOWNOFSA-N
XLogP2.30
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R)-2-ethyl-4-(2-methylpropyl)piperazin-1-yl]-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanone with MolForge

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)pyrrolidin-3-yl]methanone
CID 126790046
(4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone
CID 170184818
cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone
CID 58803042
[(2S,5R)-4-(cyclopropanecarbonyl)-2,5-diethylpiperazin-1-yl]-cyclopropylmethanone
CID 95774523
[(2R)-2-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone
CID 176797111
1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-3-methylbutan-1-one
CID 113005749
(2R)-3-methyl-2-[4-[(3R)-1-(2-methylpropyl)pyrrolidine-3-carbonyl]piperazin-1-yl]butanenitrile
CID 97082468
(3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide
CID 130272211
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783975
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
(2-cyclopentylpyrrolidin-1-yl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 136578094

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-ethyl-4-(2-methylpropyl)piperazin-1-yl]-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanone?
The IUPAC name of [(2R)-2-ethyl-4-(2-methylpropyl)piperazin-1-yl]-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanone (CID 170184751) is [(2R)-2-ethyl-4-(2-methylpropyl)piperazin-1-yl]-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanone.
What is the SMILES notation for [(2R)-2-ethyl-4-(2-methylpropyl)piperazin-1-yl]-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanone?
The canonical SMILES for [(2R)-2-ethyl-4-(2-methylpropyl)piperazin-1-yl]-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanone is CC[C@@H]1CN(CC(C)C)CCN1C(=O)[C@@H]1CCN(C(C)C)C1.
What is the InChIKey of [(2R)-2-ethyl-4-(2-methylpropyl)piperazin-1-yl]-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanone?
The InChIKey is VNORWYLWXVWZHF-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H35N3O/c1-6-17-13-19(11-14(2)3)9-10-21(17)18(22)16-7-8-20(12-16)15(4)5/h14-17H,6-13H2,1-5H3/t16-,17-/m1/s1.
What are the key properties of [(2R)-2-ethyl-4-(2-methylpropyl)piperazin-1-yl]-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanone?
[(2R)-2-ethyl-4-(2-methylpropyl)piperazin-1-yl]-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanone has a molecular weight of 309.50 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-ethyl-4-(2-methylpropyl)piperazin-1-yl]-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanone is sourced from PubChem (CID 170184751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).