N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-pyrazol-1-ylpropan-1-amine

C26H38N4O — CID 45191143

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-pyrazol-1-ylpropan-1-amine
SMILESc1ccc2c(c1)CC(N1CCC(CN(CCCn3cccn3)CC3CCCO3)CC1)C2
InChIInChI=1S/C26H38N4O/c1-2-7-24-19-25(18-23(24)6-1)29-15-9-22(10-16-29)20-28(21-26-8-3-17-31-26)12-5-14-30-13-4-11-27-30/h1-2,4,6-7,11,13,22,25-26H,3,5,8-10,12,14-21H2
InChIKeyBWUSSBDJXQAPKQ-UHFFFAOYSA-N
MW422.62 g/mol
LogP3.63
Rot. Bonds9

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-pyrazol-1-ylpropan-1-amine

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-pyrazol-1-ylpropan-1-amine (PubChem CID 45191143) has the molecular formula C26H38N4O and a molecular weight of 422.62 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-pyrazol-1-ylpropan-1-amine
PubChem CID45191143
Molecular FormulaC26H38N4O
Molecular Weight422.62 g/mol
Exact Mass422.30
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-pyrazol-1-ylpropan-1-amine
SMILESc1ccc2c(c1)CC(N1CCC(CN(CCCn3cccn3)CC3CCCO3)CC1)C2
InChIInChI=1S/C26H38N4O/c1-2-7-24-19-25(18-23(24)6-1)29-15-9-22(10-16-29)20-28(21-26-8-3-17-31-26)12-5-14-30-13-4-11-27-30/h1-2,4,6-7,11,13,22,25-26H,3,5,8-10,12,14-21H2
InChIKeyBWUSSBDJXQAPKQ-UHFFFAOYSA-N
XLogP3.63
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.62
LogP ≤ 53.63
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-(oxolan-2-ylmethyl)-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-pyrazol-1-ylpropan-1-amine (CID 45191143) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-pyrazol-1-ylpropan-1-amine is c1ccc2c(c1)CC(N1CCC(CN(CCCn3cccn3)CC3CCCO3)CC1)C2.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is BWUSSBDJXQAPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O/c1-2-7-24-19-25(18-23(24)6-1)29-15-9-22(10-16-29)20-28(21-26-8-3-17-31-26)12-5-14-30-13-4-11-27-30/h1-2,4,6-7,11,13,22,25-26H,3,5,8-10,12,14-21H2.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-pyrazol-1-ylpropan-1-amine?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-pyrazol-1-ylpropan-1-amine has a molecular weight of 422.62 g/mol, XLogP of 3.63, 9 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-(oxolan-2-ylmethyl)-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 45191143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).