1-[1-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine

C24H46N4 — CID 171748359

IUPAC1-[1-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine
SMILESCC(C)CC1(CN2CC(CN3CCC(N4CCN(C(C)C)CC4)CC3)C2)CC1
InChIInChI=1S/C24H46N4/c1-20(2)15-24(7-8-24)19-26-17-22(18-26)16-25-9-5-23(6-10-25)28-13-11-27(12-14-28)21(3)4/h20-23H,5-19H2,1-4H3
InChIKeyBDDNYBXEGGHLNZ-UHFFFAOYSA-N
MW390.66 g/mol
LogP3.23
Rot. Bonds8

About 1-[1-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine

1-[1-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine (PubChem CID 171748359) has the molecular formula C24H46N4 and a molecular weight of 390.66 g/mol. Its IUPAC name is 1-[1-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine
PubChem CID171748359
Molecular FormulaC24H46N4
Molecular Weight390.66 g/mol
Exact Mass390.37
IUPAC Name1-[1-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine
SMILESCC(C)CC1(CN2CC(CN3CCC(N4CCN(C(C)C)CC4)CC3)C2)CC1
InChIInChI=1S/C24H46N4/c1-20(2)15-24(7-8-24)19-26-17-22(18-26)16-25-9-5-23(6-10-25)28-13-11-27(12-14-28)21(3)4/h20-23H,5-19H2,1-4H3
InChIKeyBDDNYBXEGGHLNZ-UHFFFAOYSA-N
XLogP3.23
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.66
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine with MolForge

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Related Compounds

1-[[1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 171748431
3-[[1-(2-methylpropyl)cyclopropyl]methyl]-8-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-azabicyclo[3.2.1]octane
CID 171748388
6-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane
CID 171748237
1-butan-2-yl-4-[[(3R)-1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrrolidin-3-yl]methyl]piperazine
CID 174276613
1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine
CID 174275638
9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)-3,9-diazaspiro[5.5]undecane
CID 171748190
7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174276821
4-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine
CID 171748518
1-propan-2-yl-4-[[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]methyl]piperidine
CID 168786072
1-propan-2-yl-4-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]azepane
CID 177124057
1-butan-2-yl-4-[[1-[[1-(2-methylbutyl)cyclopropyl]methyl]pyrrolidin-3-yl]methyl]piperazine
CID 174276612
3-fluoro-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methyl]pentan-1-amine
CID 171748529

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[1-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine (CID 171748359) is 1-[1-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[1-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[1-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine is CC(C)CC1(CN2CC(CN3CCC(N4CCN(C(C)C)CC4)CC3)C2)CC1.
What is the InChIKey of 1-[1-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine?
The InChIKey is BDDNYBXEGGHLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4/c1-20(2)15-24(7-8-24)19-26-17-22(18-26)16-25-9-5-23(6-10-25)28-13-11-27(12-14-28)21(3)4/h20-23H,5-19H2,1-4H3.
What are the key properties of 1-[1-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine?
1-[1-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine has a molecular weight of 390.66 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 171748359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).