2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-1-pyrrolidin-1-ylethanone

C15H29N3O — CID 114507471

IUPAC2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCCNC1CCN(CC(=O)N2CCCC2)CC1CC
InChIInChI=1S/C15H29N3O/c1-3-13-11-17(10-7-14(13)16-4-2)12-15(19)18-8-5-6-9-18/h13-14,16H,3-12H2,1-2H3
InChIKeyTUOROAKTUIOWAP-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.32
Rot. Bonds5

About 2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-1-pyrrolidin-1-ylethanone

2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 114507471) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID114507471
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCCNC1CCN(CC(=O)N2CCCC2)CC1CC
InChIInChI=1S/C15H29N3O/c1-3-13-11-17(10-7-14(13)16-4-2)12-15(19)18-8-5-6-9-18/h13-14,16H,3-12H2,1-2H3
InChIKeyTUOROAKTUIOWAP-UHFFFAOYSA-N
XLogP1.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-1-pyrrolidin-1-ylethanone (CID 114507471) is 2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-1-pyrrolidin-1-ylethanone is CCNC1CCN(CC(=O)N2CCCC2)CC1CC.
What is the InChIKey of 2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is TUOROAKTUIOWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-13-11-17(10-7-14(13)16-4-2)12-15(19)18-8-5-6-9-18/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 267.42 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 114507471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).