N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-2-pyrazol-1-ylacetamide

C25H37N5O — CID 26330980

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-2-pyrazol-1-ylacetamide
SMILESCN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)Cn1cccn1
InChIInChI=1S/C25H37N5O/c1-27(2)12-6-13-29(25(31)20-30-14-5-11-26-30)19-21-9-15-28(16-10-21)24-17-22-7-3-4-8-23(22)18-24/h3-5,7-8,11,14,21,24H,6,9-10,12-13,15-20H2,1-2H3
InChIKeyAMUQTCUVPJICNI-UHFFFAOYSA-N
MW423.61 g/mol
LogP2.54
Rot. Bonds9

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-2-pyrazol-1-ylacetamide

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-2-pyrazol-1-ylacetamide (PubChem CID 26330980) has the molecular formula C25H37N5O and a molecular weight of 423.61 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-2-pyrazol-1-ylacetamide
PubChem CID26330980
Molecular FormulaC25H37N5O
Molecular Weight423.61 g/mol
Exact Mass423.30
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-2-pyrazol-1-ylacetamide
SMILESCN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)Cn1cccn1
InChIInChI=1S/C25H37N5O/c1-27(2)12-6-13-29(25(31)20-30-14-5-11-26-30)19-21-9-15-28(16-10-21)24-17-22-7-3-4-8-23(22)18-24/h3-5,7-8,11,14,21,24H,6,9-10,12-13,15-20H2,1-2H3
InChIKeyAMUQTCUVPJICNI-UHFFFAOYSA-N
XLogP2.54
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]cyclopentene-1-carboxamide
CID 25450938
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56710091
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-3-fluorobenzamide
CID 25453562
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-pyrazol-1-yl-N-(pyridin-3-ylmethyl)acetamide
CID 56854235
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 97280347
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97278262
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 45174104
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42595629
2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 45240357
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
CID 45217413
2-(benzotriazol-2-yl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 45172069
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 26329204

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-2-pyrazol-1-ylacetamide (CID 26330980) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-2-pyrazol-1-ylacetamide is CN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)Cn1cccn1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-2-pyrazol-1-ylacetamide?
The InChIKey is AMUQTCUVPJICNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O/c1-27(2)12-6-13-29(25(31)20-30-14-5-11-26-30)19-21-9-15-28(16-10-21)24-17-22-7-3-4-8-23(22)18-24/h3-5,7-8,11,14,21,24H,6,9-10,12-13,15-20H2,1-2H3.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-2-pyrazol-1-ylacetamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-2-pyrazol-1-ylacetamide has a molecular weight of 423.61 g/mol, XLogP of 2.54, 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-[3-(dimethylamino)propyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 26330980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).