(3-aminocyclopentyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone

C16H26N4O — CID 119881362

IUPAC(3-aminocyclopentyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCCc1nccn1C1CCCN(C(=O)C2CCC(N)C2)C1
InChIInChI=1S/C16H26N4O/c1-2-15-18-7-9-20(15)14-4-3-8-19(11-14)16(21)12-5-6-13(17)10-12/h7,9,12-14H,2-6,8,10-11,17H2,1H3
InChIKeyYBRXBIOWHHVFSZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.74
Rot. Bonds3

About (3-aminocyclopentyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone

(3-aminocyclopentyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 119881362) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID119881362
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(3-aminocyclopentyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCCc1nccn1C1CCCN(C(=O)C2CCC(N)C2)C1
InChIInChI=1S/C16H26N4O/c1-2-15-18-7-9-20(15)14-4-3-8-19(11-14)16(21)12-5-6-13(17)10-12/h7,9,12-14H,2-6,8,10-11,17H2,1H3
InChIKeyYBRXBIOWHHVFSZ-UHFFFAOYSA-N
XLogP1.74
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.74
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-[(2S)-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95606561
3-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120503836
1-[(2S)-2-[(3R)-3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95606560
(1-aminocyclopropyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 119881342
(2S)-2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119881387
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 95343440
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704387
N-(2,2-dimethyloxolan-3-yl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide
CID 128686368
[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]methanone
CID 129448843
[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95341014

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-aminocyclopentyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone (CID 119881362) is (3-aminocyclopentyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-aminocyclopentyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-aminocyclopentyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone is CCc1nccn1C1CCCN(C(=O)C2CCC(N)C2)C1.
What is the InChIKey of (3-aminocyclopentyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is YBRXBIOWHHVFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-15-18-7-9-20(15)14-4-3-8-19(11-14)16(21)12-5-6-13(17)10-12/h7,9,12-14H,2-6,8,10-11,17H2,1H3.
What are the key properties of (3-aminocyclopentyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
(3-aminocyclopentyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 290.41 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 119881362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).