(4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone

C14H27N3O — CID 170184818

IUPAC(4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone
SMILESCCN1CCN(C(=O)[C@H]2CCN(C(C)C)C2)CC1
InChIInChI=1S/C14H27N3O/c1-4-15-7-9-16(10-8-15)14(18)13-5-6-17(11-13)12(2)3/h12-13H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyACVDFOOJKBGOGM-ZDUSSCGKSA-N
MW253.39 g/mol
LogP0.88
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone

(4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone (PubChem CID 170184818) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone
PubChem CID170184818
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone
SMILESCCN1CCN(C(=O)[C@H]2CCN(C(C)C)C2)CC1
InChIInChI=1S/C14H27N3O/c1-4-15-7-9-16(10-8-15)14(18)13-5-6-17(11-13)12(2)3/h12-13H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyACVDFOOJKBGOGM-ZDUSSCGKSA-N
XLogP0.88
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119903931
(1-propan-2-ylpiperidin-4-yl)-[4-(1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]methanone
CID 177124210
(4-ethylpiperidin-1-yl)-(1-propan-2-ylazetidin-3-yl)methanone
CID 171093987
[(2R)-2-ethyl-4-(2-methylpropyl)piperazin-1-yl]-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanone
CID 170184751
cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone
CID 58803042
1-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 47984373
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
CID 170266000
(1-propan-2-ylpiperidin-4-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 168752402
(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 168752483
[(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone
CID 177134741
(4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone
CID 795735
azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone
CID 121368635

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone (CID 170184818) is (4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone is CCN1CCN(C(=O)[C@H]2CCN(C(C)C)C2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone?
The InChIKey is ACVDFOOJKBGOGM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-15-7-9-16(10-8-15)14(18)13-5-6-17(11-13)12(2)3/h12-13H,4-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone?
(4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone has a molecular weight of 253.39 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone is sourced from PubChem (CID 170184818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).