(2-ethylpyrrolidin-2-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone

C16H31N3O — CID 83072515

IUPAC(2-ethylpyrrolidin-2-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
SMILESCCC1(C(=O)N2CCN(CCC(C)C)CC2)CCCN1
InChIInChI=1S/C16H31N3O/c1-4-16(7-5-8-17-16)15(20)19-12-10-18(11-13-19)9-6-14(2)3/h14,17H,4-13H2,1-3H3
InChIKeyYLVSNDOFGXTHNY-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.71
Rot. Bonds5

About (2-ethylpyrrolidin-2-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone

(2-ethylpyrrolidin-2-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone (PubChem CID 83072515) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is (2-ethylpyrrolidin-2-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-2-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
PubChem CID83072515
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name(2-ethylpyrrolidin-2-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
SMILESCCC1(C(=O)N2CCN(CCC(C)C)CC2)CCCN1
InChIInChI=1S/C16H31N3O/c1-4-16(7-5-8-17-16)15(20)19-12-10-18(11-13-19)9-6-14(2)3/h14,17H,4-13H2,1-3H3
InChIKeyYLVSNDOFGXTHNY-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylpyrrolidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112625313
(2-ethylpyrrolidin-2-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 107217712
3-[4-(2-propylpyrrolidine-2-carbonyl)piperazin-1-yl]propanenitrile
CID 106975624
(3,3-diethylpyrrolidin-1-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 83073569
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-ethylpyrrolidin-2-yl)methanone
CID 83073309
2-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 83072476
[1-(aminomethyl)cyclohexyl]-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 115437590
N-ethyl-1-(2-ethylpyrrolidine-2-carbonyl)piperidine-4-carboxamide
CID 83071816
(4-tert-butylazepan-1-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 83072313
3-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]propanoic acid
CID 83071372
piperidin-1-yl-(2-propylpyrrolidin-2-yl)methanone
CID 106974101
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-2-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone?
The IUPAC name of (2-ethylpyrrolidin-2-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone (CID 83072515) is (2-ethylpyrrolidin-2-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrrolidin-2-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrrolidin-2-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone is CCC1(C(=O)N2CCN(CCC(C)C)CC2)CCCN1.
What is the InChIKey of (2-ethylpyrrolidin-2-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone?
The InChIKey is YLVSNDOFGXTHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-16(7-5-8-17-16)15(20)19-12-10-18(11-13-19)9-6-14(2)3/h14,17H,4-13H2,1-3H3.
What are the key properties of (2-ethylpyrrolidin-2-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone?
(2-ethylpyrrolidin-2-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone has a molecular weight of 281.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrrolidin-2-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone is sourced from PubChem (CID 83072515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).