1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one

C19H32N4O — CID 119881376

IUPAC1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
SMILESCCc1nccn1C1CCCN(C(=O)CC(C)C2CCCNC2)C1
InChIInChI=1S/C19H32N4O/c1-3-18-21-9-11-23(18)17-7-5-10-22(14-17)19(24)12-15(2)16-6-4-8-20-13-16/h9,11,15-17,20H,3-8,10,12-14H2,1-2H3
InChIKeyCBTQGHGTAUWDBF-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.63
Rot. Bonds5

About 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one

1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one (PubChem CID 119881376) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
PubChem CID119881376
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
SMILESCCc1nccn1C1CCCN(C(=O)CC(C)C2CCCNC2)C1
InChIInChI=1S/C19H32N4O/c1-3-18-21-9-11-23(18)17-7-5-10-22(14-17)19(24)12-15(2)16-6-4-8-20-13-16/h9,11,15-17,20H,3-8,10,12-14H2,1-2H3
InChIKeyCBTQGHGTAUWDBF-UHFFFAOYSA-N
XLogP2.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.63
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
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704387
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119881407
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 95343440
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 122081545
N-[(1R)-1-cyclopentyl-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 95978600
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119873585
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119399723
3-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120503836
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119874206
1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81044118
(1-aminocyclopropyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 119881342

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one?
The IUPAC name of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one (CID 119881376) is 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one.
What is the SMILES notation for 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one?
The canonical SMILES for 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one is CCc1nccn1C1CCCN(C(=O)CC(C)C2CCCNC2)C1.
What is the InChIKey of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one?
The InChIKey is CBTQGHGTAUWDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-3-18-21-9-11-23(18)17-7-5-10-22(14-17)19(24)12-15(2)16-6-4-8-20-13-16/h9,11,15-17,20H,3-8,10,12-14H2,1-2H3.
What are the key properties of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one?
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one has a molecular weight of 332.49 g/mol, XLogP of 2.63, 5 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]-3-piperidin-3-ylbutan-1-one is sourced from PubChem (CID 119881376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).