N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide

C26H36N4O2 — CID 45200704

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccn(CC(=O)N(CC2CCN(C3Cc4ccccc4C3)CC2)CC2CCCO2)n1
InChIInChI=1S/C26H36N4O2/c1-20-8-13-30(27-20)19-26(31)29(18-25-7-4-14-32-25)17-21-9-11-28(12-10-21)24-15-22-5-2-3-6-23(22)16-24/h2-3,5-6,8,13,21,24-25H,4,7,9-12,14-19H2,1H3
InChIKeyCYVNMQWEHWGYPX-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.08
Rot. Bonds7

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

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 45200704) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID45200704
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccn(CC(=O)N(CC2CCN(C3Cc4ccccc4C3)CC2)CC2CCCO2)n1
InChIInChI=1S/C26H36N4O2/c1-20-8-13-30(27-20)19-26(31)29(18-25-7-4-14-32-25)17-21-9-11-28(12-10-21)24-15-22-5-2-3-6-23(22)16-24/h2-3,5-6,8,13,21,24-25H,4,7,9-12,14-19H2,1H3
InChIKeyCYVNMQWEHWGYPX-UHFFFAOYSA-N
XLogP3.08
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.08
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]-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 45200704) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide is Cc1ccn(CC(=O)N(CC2CCN(C3Cc4ccccc4C3)CC2)CC2CCCO2)n1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is CYVNMQWEHWGYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-20-8-13-30(27-20)19-26(31)29(18-25-7-4-14-32-25)17-21-9-11-28(12-10-21)24-15-22-5-2-3-6-23(22)16-24/h2-3,5-6,8,13,21,24-25H,4,7,9-12,14-19H2,1H3.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 436.60 g/mol, XLogP of 3.08, 7 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]-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 45200704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).