6-(4-methylpiperidin-1-yl)-3-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-yl]ethyl]-3-azabicyclo[3.1.0]hexane

C25H46N4 — CID 144962420

IUPAC6-(4-methylpiperidin-1-yl)-3-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-yl]ethyl]-3-azabicyclo[3.1.0]hexane
SMILESCC1CCN(CCN2CCC(CCN3CC4C(C3)C4N3CCC(C)CC3)C2)CC1
InChIInChI=1S/C25H46N4/c1-20-3-9-26(10-4-20)15-16-27-11-7-22(17-27)8-12-28-18-23-24(19-28)25(23)29-13-5-21(2)6-14-29/h20-25H,3-19H2,1-2H3
InChIKeyKEBSJILMJNDLBO-UHFFFAOYSA-N
MW402.67 g/mol
LogP3.09
Rot. Bonds7

About 6-(4-methylpiperidin-1-yl)-3-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-yl]ethyl]-3-azabicyclo[3.1.0]hexane

6-(4-methylpiperidin-1-yl)-3-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-yl]ethyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 144962420) has the molecular formula C25H46N4 and a molecular weight of 402.67 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)-3-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-yl]ethyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)-3-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-yl]ethyl]-3-azabicyclo[3.1.0]hexane
PubChem CID144962420
Molecular FormulaC25H46N4
Molecular Weight402.67 g/mol
Exact Mass402.37
IUPAC Name6-(4-methylpiperidin-1-yl)-3-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-yl]ethyl]-3-azabicyclo[3.1.0]hexane
SMILESCC1CCN(CCN2CCC(CCN3CC4C(C3)C4N3CCC(C)CC3)C2)CC1
InChIInChI=1S/C25H46N4/c1-20-3-9-26(10-4-20)15-16-27-11-7-22(17-27)8-12-28-18-23-24(19-28)25(23)29-13-5-21(2)6-14-29/h20-25H,3-19H2,1-2H3
InChIKeyKEBSJILMJNDLBO-UHFFFAOYSA-N
XLogP3.09
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.67
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-Methylpiperazin-1-yl)ethyl]-5-[2-(2,4,5-trimethylpiperazin-1-yl)ethyl]-2,5-diazabicyclo[2.2.1]heptane
CID 123807053
6-(4-Methylpiperidin-1-yl)-3-(1-methylpyrrolidin-3-yl)-3-azabicyclo[3.1.0]hexane
CID 129178490
6-(4-methylpiperidin-1-yl)-3-[(3R)-1-methylpyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane
CID 129178580
1-(2-Methylpropyl)-2-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]-4-propylpiperazine
CID 129276826
1-[(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]ethyl]-4-propylpiperazine
CID 129281065
(1R,4R)-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 138656923
2-[1-(1-Tert-butyl-3,5-dimethylpiperidin-4-yl)-2-methylpropan-2-yl]-5-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 139332518
(1S,4S)-2-tert-butyl-5-[(1-tert-butylpiperidin-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 146548381
(1S,4S)-2-[(1-tert-butylpiperidin-4-yl)methyl]-5-ethyl-2,5-diazabicyclo[2.2.1]heptane
CID 146549043
(1R,4R)-2-tert-butyl-5-[(1-tert-butylpiperidin-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 146549047
6-(4-Methylpiperidin-1-yl)-3-[2-(1-methylpyrrolidin-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane
CID 148010013
2-[[1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 149539567

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)-3-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-yl]ethyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-(4-methylpiperidin-1-yl)-3-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-yl]ethyl]-3-azabicyclo[3.1.0]hexane (CID 144962420) is 6-(4-methylpiperidin-1-yl)-3-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-yl]ethyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)-3-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-yl]ethyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)-3-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-yl]ethyl]-3-azabicyclo[3.1.0]hexane is CC1CCN(CCN2CCC(CCN3CC4C(C3)C4N3CCC(C)CC3)C2)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)-3-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-yl]ethyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is KEBSJILMJNDLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N4/c1-20-3-9-26(10-4-20)15-16-27-11-7-22(17-27)8-12-28-18-23-24(19-28)25(23)29-13-5-21(2)6-14-29/h20-25H,3-19H2,1-2H3.
What are the key properties of 6-(4-methylpiperidin-1-yl)-3-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-yl]ethyl]-3-azabicyclo[3.1.0]hexane?
6-(4-methylpiperidin-1-yl)-3-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-yl]ethyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 402.67 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)-3-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-yl]ethyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 144962420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).