1-methyl-4-[1-[1-[1-(1-propan-2-ylpiperidin-3-yl)azetidin-3-yl]propan-2-yl]piperidin-4-yl]piperazine

C24H47N5 — CID 138647381

IUPAC1-methyl-4-[1-[1-[1-(1-propan-2-ylpiperidin-3-yl)azetidin-3-yl]propan-2-yl]piperidin-4-yl]piperazine
SMILESCC(C)N1CCCC(N2CC(CC(C)N3CCC(N4CCN(C)CC4)CC3)C2)C1
InChIInChI=1S/C24H47N5/c1-20(2)28-9-5-6-24(19-28)29-17-22(18-29)16-21(3)26-10-7-23(8-11-26)27-14-12-25(4)13-15-27/h20-24H,5-19H2,1-4H3
InChIKeyRCAVERVKZMCHMQ-UHFFFAOYSA-N
MW405.68 g/mol
LogP2.28
Rot. Bonds6

About 1-methyl-4-[1-[1-[1-(1-propan-2-ylpiperidin-3-yl)azetidin-3-yl]propan-2-yl]piperidin-4-yl]piperazine

1-methyl-4-[1-[1-[1-(1-propan-2-ylpiperidin-3-yl)azetidin-3-yl]propan-2-yl]piperidin-4-yl]piperazine (PubChem CID 138647381) has the molecular formula C24H47N5 and a molecular weight of 405.68 g/mol. Its IUPAC name is 1-methyl-4-[1-[1-[1-(1-propan-2-ylpiperidin-3-yl)azetidin-3-yl]propan-2-yl]piperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[1-[1-[1-(1-propan-2-ylpiperidin-3-yl)azetidin-3-yl]propan-2-yl]piperidin-4-yl]piperazine
PubChem CID138647381
Molecular FormulaC24H47N5
Molecular Weight405.68 g/mol
Exact Mass405.38
IUPAC Name1-methyl-4-[1-[1-[1-(1-propan-2-ylpiperidin-3-yl)azetidin-3-yl]propan-2-yl]piperidin-4-yl]piperazine
SMILESCC(C)N1CCCC(N2CC(CC(C)N3CCC(N4CCN(C)CC4)CC3)C2)C1
InChIInChI=1S/C24H47N5/c1-20(2)28-9-5-6-24(19-28)29-17-22(18-29)16-21(3)26-10-7-23(8-11-26)27-14-12-25(4)13-15-27/h20-24H,5-19H2,1-4H3
InChIKeyRCAVERVKZMCHMQ-UHFFFAOYSA-N
XLogP2.28
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.68
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[1-[1-(1-propan-2-ylpiperidin-3-yl)azetidin-3-yl]propan-2-yl]piperidin-4-yl]piperazine?
The IUPAC name of 1-methyl-4-[1-[1-[1-(1-propan-2-ylpiperidin-3-yl)azetidin-3-yl]propan-2-yl]piperidin-4-yl]piperazine (CID 138647381) is 1-methyl-4-[1-[1-[1-(1-propan-2-ylpiperidin-3-yl)azetidin-3-yl]propan-2-yl]piperidin-4-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[1-[1-[1-(1-propan-2-ylpiperidin-3-yl)azetidin-3-yl]propan-2-yl]piperidin-4-yl]piperazine?
The canonical SMILES for 1-methyl-4-[1-[1-[1-(1-propan-2-ylpiperidin-3-yl)azetidin-3-yl]propan-2-yl]piperidin-4-yl]piperazine is CC(C)N1CCCC(N2CC(CC(C)N3CCC(N4CCN(C)CC4)CC3)C2)C1.
What is the InChIKey of 1-methyl-4-[1-[1-[1-(1-propan-2-ylpiperidin-3-yl)azetidin-3-yl]propan-2-yl]piperidin-4-yl]piperazine?
The InChIKey is RCAVERVKZMCHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N5/c1-20(2)28-9-5-6-24(19-28)29-17-22(18-29)16-21(3)26-10-7-23(8-11-26)27-14-12-25(4)13-15-27/h20-24H,5-19H2,1-4H3.
What are the key properties of 1-methyl-4-[1-[1-[1-(1-propan-2-ylpiperidin-3-yl)azetidin-3-yl]propan-2-yl]piperidin-4-yl]piperazine?
1-methyl-4-[1-[1-[1-(1-propan-2-ylpiperidin-3-yl)azetidin-3-yl]propan-2-yl]piperidin-4-yl]piperazine has a molecular weight of 405.68 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-[1-[1-(1-propan-2-ylpiperidin-3-yl)azetidin-3-yl]propan-2-yl]piperidin-4-yl]piperazine is sourced from PubChem (CID 138647381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).