(4-butan-2-ylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

C16H31N3O — CID 106980599

IUPAC(4-butan-2-ylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCCC(C)N1CCN(C(=O)C2(C(C)C)CCNC2)CC1
InChIInChI=1S/C16H31N3O/c1-5-14(4)18-8-10-19(11-9-18)15(20)16(13(2)3)6-7-17-12-16/h13-14,17H,5-12H2,1-4H3
InChIKeyRCFXUZGXZZVYGY-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.56
Rot. Bonds4

About (4-butan-2-ylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

(4-butan-2-ylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 106980599) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is (4-butan-2-ylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-butan-2-ylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID106980599
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name(4-butan-2-ylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCCC(C)N1CCN(C(=O)C2(C(C)C)CCNC2)CC1
InChIInChI=1S/C16H31N3O/c1-5-14(4)18-8-10-19(11-9-18)15(20)16(13(2)3)6-7-17-12-16/h13-14,17H,5-12H2,1-4H3
InChIKeyRCFXUZGXZZVYGY-UHFFFAOYSA-N
XLogP1.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-butan-2-ylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63142306
(4-ethyl-4-methylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980650
8-azaspiro[4.5]decan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980652
(4-methyl-1,4-diazepan-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106979625
(4-butan-2-ylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63132853
(3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980687
(4-methylsulfanylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 114237027
3-ethyl-1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 106980645
(3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980906
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981172
(3-hydroxypyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980620
(3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 106980335

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-butan-2-ylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 106980599) is (4-butan-2-ylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-butan-2-ylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-butan-2-ylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is CCC(C)N1CCN(C(=O)C2(C(C)C)CCNC2)CC1.
What is the InChIKey of (4-butan-2-ylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is RCFXUZGXZZVYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-5-14(4)18-8-10-19(11-9-18)15(20)16(13(2)3)6-7-17-12-16/h13-14,17H,5-12H2,1-4H3.
What are the key properties of (4-butan-2-ylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
(4-butan-2-ylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 281.44 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106980599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).