1-[3-ethyl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrrolidin-1-yl]-2-methoxyethanone

C19H30N4O2 — CID 110876658

IUPAC1-[3-ethyl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrrolidin-1-yl]-2-methoxyethanone
SMILESCCC1(N2CCN(Cc3cccnc3)CC2)CCN(C(=O)COC)C1
InChIInChI=1S/C19H30N4O2/c1-3-19(6-8-22(16-19)18(24)15-25-2)23-11-9-21(10-12-23)14-17-5-4-7-20-13-17/h4-5,7,13H,3,6,8-12,14-16H2,1-2H3
InChIKeyRBWHGKXVWFSNPM-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.23
Rot. Bonds6

About 1-[3-ethyl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrrolidin-1-yl]-2-methoxyethanone

1-[3-ethyl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrrolidin-1-yl]-2-methoxyethanone (PubChem CID 110876658) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[3-ethyl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrrolidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[3-ethyl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrrolidin-1-yl]-2-methoxyethanone
PubChem CID110876658
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-[3-ethyl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrrolidin-1-yl]-2-methoxyethanone
SMILESCCC1(N2CCN(Cc3cccnc3)CC2)CCN(C(=O)COC)C1
InChIInChI=1S/C19H30N4O2/c1-3-19(6-8-22(16-19)18(24)15-25-2)23-11-9-21(10-12-23)14-17-5-4-7-20-13-17/h4-5,7,13H,3,6,8-12,14-16H2,1-2H3
InChIKeyRBWHGKXVWFSNPM-UHFFFAOYSA-N
XLogP1.23
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
2-methoxy-1-[4-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 133135692
2-(2-methoxyethoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 103606916
1-[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-2-methoxyethanone
CID 110876657
9-(2-methoxyacetyl)-3-methyl-13-(pyridin-3-ylmethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 134077063
1-[(3aS,6aS)-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methoxyethanone
CID 97376869
(5S)-9-(2-methoxyacetyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371896
N-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide
CID 137371248
2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 110709120
2-(2-ethoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 134045109
(2,6-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 1112890
methyl 4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]benzoate
CID 19572760

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[3-ethyl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrrolidin-1-yl]-2-methoxyethanone (CID 110876658) is 1-[3-ethyl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrrolidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[3-ethyl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[3-ethyl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrrolidin-1-yl]-2-methoxyethanone is CCC1(N2CCN(Cc3cccnc3)CC2)CCN(C(=O)COC)C1.
What is the InChIKey of 1-[3-ethyl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The InChIKey is RBWHGKXVWFSNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-19(6-8-22(16-19)18(24)15-25-2)23-11-9-21(10-12-23)14-17-5-4-7-20-13-17/h4-5,7,13H,3,6,8-12,14-16H2,1-2H3.
What are the key properties of 1-[3-ethyl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrrolidin-1-yl]-2-methoxyethanone?
1-[3-ethyl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrrolidin-1-yl]-2-methoxyethanone has a molecular weight of 346.48 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrrolidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 110876658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).