1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride

C16H28Cl2N4O — CID 119881407

IUPAC1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
SMILESCCc1nccn1C1CCCN(C(=O)CC2CCCN2)C1.Cl.Cl
InChIInChI=1S/C16H26N4O.2ClH/c1-2-15-18-8-10-20(15)14-6-4-9-19(12-14)16(21)11-13-5-3-7-17-13;;/h8,10,13-14,17H,2-7,9,11-12H2,1H3;2*1H
InChIKeyNJPWTDWAYINPGF-UHFFFAOYSA-N
MW363.33 g/mol
LogP2.59
Rot. Bonds4

About 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride

1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride (PubChem CID 119881407) has the molecular formula C16H28Cl2N4O and a molecular weight of 363.33 g/mol. Its IUPAC name is 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride.

Molecular Properties

Compound Name1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
PubChem CID119881407
Molecular FormulaC16H28Cl2N4O
Molecular Weight363.33 g/mol
Exact Mass362.16
IUPAC Name1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
SMILESCCc1nccn1C1CCCN(C(=O)CC2CCCN2)C1.Cl.Cl
InChIInChI=1S/C16H26N4O.2ClH/c1-2-15-18-8-10-20(15)14-6-4-9-19(12-14)16(21)11-13-5-3-7-17-13;;/h8,10,13-14,17H,2-7,9,11-12H2,1H3;2*1H
InChIKeyNJPWTDWAYINPGF-UHFFFAOYSA-N
XLogP2.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 122081545
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704387
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 95343440
(2S)-2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119881387
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119881376
(1-aminocyclopropyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 119881342
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylethanone
CID 95341954
3-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120503836
3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982733
4-[3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyrazine-2,3-dione
CID 154748019
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 95606548

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride?
The IUPAC name of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride (CID 119881407) is 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride.
What is the SMILES notation for 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride?
The canonical SMILES for 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride is CCc1nccn1C1CCCN(C(=O)CC2CCCN2)C1.Cl.Cl.
What is the InChIKey of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride?
The InChIKey is NJPWTDWAYINPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O.2ClH/c1-2-15-18-8-10-20(15)14-6-4-9-19(12-14)16(21)11-13-5-3-7-17-13;;/h8,10,13-14,17H,2-7,9,11-12H2,1H3;2*1H.
What are the key properties of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride?
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride has a molecular weight of 363.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride is sourced from PubChem (CID 119881407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).