[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone

C17H26N4O — CID 91925174

IUPAC[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCCC1(N2CCN(C)CC2)CCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C17H26N4O/c1-3-17(21-12-10-19(2)11-13-21)6-9-20(14-17)16(22)15-4-7-18-8-5-15/h4-5,7-8H,3,6,9-14H2,1-2H3
InChIKeyYYEQPVCAWBDGTB-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.32
Rot. Bonds3

About [3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone

[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 91925174) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is [3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID91925174
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCCC1(N2CCN(C)CC2)CCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C17H26N4O/c1-3-17(21-12-10-19(2)11-13-21)6-9-20(14-17)16(22)15-4-7-18-8-5-15/h4-5,7-8H,3,6,9-14H2,1-2H3
InChIKeyYYEQPVCAWBDGTB-UHFFFAOYSA-N
XLogP1.32
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-ethyl-3-piperazin-1-ylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 110876667
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617
tert-butyl 4-(4-methylpiperazin-1-yl)-4-[(pyridine-4-carbonylamino)methyl]piperidine-1-carboxylate
CID 70946310
[4-[(3S)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 95112299
[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 70705426
formic acid;(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-pyridin-4-ylmethanone
CID 154919240
(4-methylpiperazin-1-yl)-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]methanone
CID 21336449
1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one
CID 112721883
(3R)-3-ethyl-1-[4-(4-methylpiperazin-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 97147798
[4-(1-methylpyrazole-4-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-pyridin-4-ylmethanone
CID 171318412
(4-methylpiperazin-1-yl)-[4-[(2S)-3-methyl-1-pyridin-4-ylbutan-2-yl]phenyl]methanone
CID 59097818

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 91925174) is [3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone is CCC1(N2CCN(C)CC2)CCN(C(=O)c2ccncc2)C1.
What is the InChIKey of [3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is YYEQPVCAWBDGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-3-17(21-12-10-19(2)11-13-21)6-9-20(14-17)16(22)15-4-7-18-8-5-15/h4-5,7-8H,3,6,9-14H2,1-2H3.
What are the key properties of [3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 302.42 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 91925174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).