2-ethyl-1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]hexan-1-one

C25H46N4O2 — CID 42881407

IUPAC2-ethyl-1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]hexan-1-one
SMILESCCCCC(CC)C(=O)N1CCC(N2CCC(C(=O)N3CCN(CC)CC3)CC2)CC1
InChIInChI=1S/C25H46N4O2/c1-4-7-8-21(5-2)24(30)28-15-11-23(12-16-28)27-13-9-22(10-14-27)25(31)29-19-17-26(6-3)18-20-29/h21-23H,4-20H2,1-3H3
InChIKeyCKYWRSKXZBGPCO-UHFFFAOYSA-N
MW434.67 g/mol
LogP3.07
Rot. Bonds8

About 2-ethyl-1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]hexan-1-one

2-ethyl-1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]hexan-1-one (PubChem CID 42881407) has the molecular formula C25H46N4O2 and a molecular weight of 434.67 g/mol. Its IUPAC name is 2-ethyl-1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]hexan-1-one
PubChem CID42881407
Molecular FormulaC25H46N4O2
Molecular Weight434.67 g/mol
Exact Mass434.36
IUPAC Name2-ethyl-1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]hexan-1-one
SMILESCCCCC(CC)C(=O)N1CCC(N2CCC(C(=O)N3CCN(CC)CC3)CC2)CC1
InChIInChI=1S/C25H46N4O2/c1-4-7-8-21(5-2)24(30)28-15-11-23(12-16-28)27-13-9-22(10-14-27)25(31)29-19-17-26(6-3)18-20-29/h21-23H,4-20H2,1-3H3
InChIKeyCKYWRSKXZBGPCO-UHFFFAOYSA-N
XLogP3.07
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.67
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]hexan-1-one?
The IUPAC name of 2-ethyl-1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]hexan-1-one (CID 42881407) is 2-ethyl-1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]hexan-1-one.
What is the SMILES notation for 2-ethyl-1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]hexan-1-one?
The canonical SMILES for 2-ethyl-1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]hexan-1-one is CCCCC(CC)C(=O)N1CCC(N2CCC(C(=O)N3CCN(CC)CC3)CC2)CC1.
What is the InChIKey of 2-ethyl-1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]hexan-1-one?
The InChIKey is CKYWRSKXZBGPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N4O2/c1-4-7-8-21(5-2)24(30)28-15-11-23(12-16-28)27-13-9-22(10-14-27)25(31)29-19-17-26(6-3)18-20-29/h21-23H,4-20H2,1-3H3.
What are the key properties of 2-ethyl-1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]hexan-1-one?
2-ethyl-1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]hexan-1-one has a molecular weight of 434.67 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 42881407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).