N'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N,N-dimethyl-N'-(3-pyrazol-1-ylpropyl)propane-1,3-diamine

C26H41N5 — CID 28957186

IUPACN'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N,N-dimethyl-N'-(3-pyrazol-1-ylpropyl)propane-1,3-diamine
SMILESCN(C)CCCN(CCCn1cccn1)CC1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C26H41N5/c1-28(2)13-6-14-29(15-7-17-31-16-5-12-27-31)22-23-10-18-30(19-11-23)26-20-24-8-3-4-9-25(24)21-26/h3-5,8-9,12,16,23,26H,6-7,10-11,13-15,17-22H2,1-2H3
InChIKeyQYZQAOMDXKORLG-UHFFFAOYSA-N
MW423.65 g/mol
LogP3.41
Rot. Bonds11

About N'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N,N-dimethyl-N'-(3-pyrazol-1-ylpropyl)propane-1,3-diamine

N'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N,N-dimethyl-N'-(3-pyrazol-1-ylpropyl)propane-1,3-diamine (PubChem CID 28957186) has the molecular formula C26H41N5 and a molecular weight of 423.65 g/mol. Its IUPAC name is N'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N,N-dimethyl-N'-(3-pyrazol-1-ylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N,N-dimethyl-N'-(3-pyrazol-1-ylpropyl)propane-1,3-diamine
PubChem CID28957186
Molecular FormulaC26H41N5
Molecular Weight423.65 g/mol
Exact Mass423.34
IUPAC NameN'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N,N-dimethyl-N'-(3-pyrazol-1-ylpropyl)propane-1,3-diamine
SMILESCN(C)CCCN(CCCn1cccn1)CC1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C26H41N5/c1-28(2)13-6-14-29(15-7-17-31-16-5-12-27-31)22-23-10-18-30(19-11-23)26-20-24-8-3-4-9-25(24)21-26/h3-5,8-9,12,16,23,26H,6-7,10-11,13-15,17-22H2,1-2H3
InChIKeyQYZQAOMDXKORLG-UHFFFAOYSA-N
XLogP3.41
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.65
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N,N-dimethyl-N'-(3-pyrazol-1-ylpropyl)propane-1,3-diamine?
The IUPAC name of N'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N,N-dimethyl-N'-(3-pyrazol-1-ylpropyl)propane-1,3-diamine (CID 28957186) is N'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N,N-dimethyl-N'-(3-pyrazol-1-ylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N,N-dimethyl-N'-(3-pyrazol-1-ylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N,N-dimethyl-N'-(3-pyrazol-1-ylpropyl)propane-1,3-diamine is CN(C)CCCN(CCCn1cccn1)CC1CCN(C2Cc3ccccc3C2)CC1.
What is the InChIKey of N'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N,N-dimethyl-N'-(3-pyrazol-1-ylpropyl)propane-1,3-diamine?
The InChIKey is QYZQAOMDXKORLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N5/c1-28(2)13-6-14-29(15-7-17-31-16-5-12-27-31)22-23-10-18-30(19-11-23)26-20-24-8-3-4-9-25(24)21-26/h3-5,8-9,12,16,23,26H,6-7,10-11,13-15,17-22H2,1-2H3.
What are the key properties of N'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N,N-dimethyl-N'-(3-pyrazol-1-ylpropyl)propane-1,3-diamine?
N'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N,N-dimethyl-N'-(3-pyrazol-1-ylpropyl)propane-1,3-diamine has a molecular weight of 423.65 g/mol, XLogP of 3.41, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N,N-dimethyl-N'-(3-pyrazol-1-ylpropyl)propane-1,3-diamine is sourced from PubChem (CID 28957186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).