(3-ethyl-3-piperazin-1-ylpyrrolidin-1-yl)-pyridin-4-ylmethanone

C16H24N4O — CID 110876667

IUPAC(3-ethyl-3-piperazin-1-ylpyrrolidin-1-yl)-pyridin-4-ylmethanone
SMILESCCC1(N2CCNCC2)CCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C16H24N4O/c1-2-16(20-11-8-18-9-12-20)5-10-19(13-16)15(21)14-3-6-17-7-4-14/h3-4,6-7,18H,2,5,8-13H2,1H3
InChIKeyISKKYYHBJYIUOS-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.98
Rot. Bonds3

About (3-ethyl-3-piperazin-1-ylpyrrolidin-1-yl)-pyridin-4-ylmethanone

(3-ethyl-3-piperazin-1-ylpyrrolidin-1-yl)-pyridin-4-ylmethanone (PubChem CID 110876667) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is (3-ethyl-3-piperazin-1-ylpyrrolidin-1-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(3-ethyl-3-piperazin-1-ylpyrrolidin-1-yl)-pyridin-4-ylmethanone
PubChem CID110876667
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(3-ethyl-3-piperazin-1-ylpyrrolidin-1-yl)-pyridin-4-ylmethanone
SMILESCCC1(N2CCNCC2)CCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C16H24N4O/c1-2-16(20-11-8-18-9-12-20)5-10-19(13-16)15(21)14-3-6-17-7-4-14/h3-4,6-7,18H,2,5,8-13H2,1H3
InChIKeyISKKYYHBJYIUOS-UHFFFAOYSA-N
XLogP0.98
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91925174
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617
1-(1-ethylcyclopropyl)piperazine
CID 83694598
[9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone
CID 167940871
[3-ethyl-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone
CID 11336840
[4-[(3S)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 95112299
3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63146595
3-ethyl-1-(4-propan-2-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63146683
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 106752604

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-3-piperazin-1-ylpyrrolidin-1-yl)-pyridin-4-ylmethanone?
The IUPAC name of (3-ethyl-3-piperazin-1-ylpyrrolidin-1-yl)-pyridin-4-ylmethanone (CID 110876667) is (3-ethyl-3-piperazin-1-ylpyrrolidin-1-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (3-ethyl-3-piperazin-1-ylpyrrolidin-1-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (3-ethyl-3-piperazin-1-ylpyrrolidin-1-yl)-pyridin-4-ylmethanone is CCC1(N2CCNCC2)CCN(C(=O)c2ccncc2)C1.
What is the InChIKey of (3-ethyl-3-piperazin-1-ylpyrrolidin-1-yl)-pyridin-4-ylmethanone?
The InChIKey is ISKKYYHBJYIUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-16(20-11-8-18-9-12-20)5-10-19(13-16)15(21)14-3-6-17-7-4-14/h3-4,6-7,18H,2,5,8-13H2,1H3.
What are the key properties of (3-ethyl-3-piperazin-1-ylpyrrolidin-1-yl)-pyridin-4-ylmethanone?
(3-ethyl-3-piperazin-1-ylpyrrolidin-1-yl)-pyridin-4-ylmethanone has a molecular weight of 288.39 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-3-piperazin-1-ylpyrrolidin-1-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 110876667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).