2-(1-acetylpiperidin-4-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone

C18H26N4O2 — CID 53185407

IUPAC2-(1-acetylpiperidin-4-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CC(=O)N2CCC(Nc3cccnc3)C2)CC1
InChIInChI=1S/C18H26N4O2/c1-14(23)21-8-4-15(5-9-21)11-18(24)22-10-6-17(13-22)20-16-3-2-7-19-12-16/h2-3,7,12,15,17,20H,4-6,8-11,13H2,1H3
InChIKeyLSOSJNDRZLZKBP-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.74
Rot. Bonds4

About 2-(1-acetylpiperidin-4-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone

2-(1-acetylpiperidin-4-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone (PubChem CID 53185407) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
PubChem CID53185407
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-(1-acetylpiperidin-4-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CC(=O)N2CCC(Nc3cccnc3)C2)CC1
InChIInChI=1S/C18H26N4O2/c1-14(23)21-8-4-15(5-9-21)11-18(24)22-10-6-17(13-22)20-16-3-2-7-19-12-16/h2-3,7,12,15,17,20H,4-6,8-11,13H2,1H3
InChIKeyLSOSJNDRZLZKBP-UHFFFAOYSA-N
XLogP1.74
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone (CID 53185407) is 2-(1-acetylpiperidin-4-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(CC(=O)N2CCC(Nc3cccnc3)C2)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone?
The InChIKey is LSOSJNDRZLZKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14(23)21-8-4-15(5-9-21)11-18(24)22-10-6-17(13-22)20-16-3-2-7-19-12-16/h2-3,7,12,15,17,20H,4-6,8-11,13H2,1H3.
What are the key properties of 2-(1-acetylpiperidin-4-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone?
2-(1-acetylpiperidin-4-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone has a molecular weight of 330.43 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 53185407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).