N-methyl-N-[(1R)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-2-pyrazol-1-ylacetamide

C24H32N4O3 — CID 42238452

IUPACN-methyl-N-[(1R)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-2-pyrazol-1-ylacetamide
SMILESCN(C(=O)Cn1cccn1)[C@H](Cc1ccccc1)C1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C24H32N4O3/c1-26(23(29)18-28-13-6-12-25-28)21(17-19-7-3-2-4-8-19)20-10-14-27(15-11-20)24(30)22-9-5-16-31-22/h2-4,6-8,12-13,20-22H,5,9-11,14-18H2,1H3/t21-,22+/m1/s1
InChIKeyHFKXYZOLNMUSCM-YADHBBJMSA-N
MW424.55 g/mol
LogP2.37
Rot. Bonds7

About N-methyl-N-[(1R)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-2-pyrazol-1-ylacetamide

N-methyl-N-[(1R)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-2-pyrazol-1-ylacetamide (PubChem CID 42238452) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-methyl-N-[(1R)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(1R)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-2-pyrazol-1-ylacetamide
PubChem CID42238452
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-methyl-N-[(1R)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-2-pyrazol-1-ylacetamide
SMILESCN(C(=O)Cn1cccn1)[C@H](Cc1ccccc1)C1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C24H32N4O3/c1-26(23(29)18-28-13-6-12-25-28)21(17-19-7-3-2-4-8-19)20-10-14-27(15-11-20)24(30)22-9-5-16-31-22/h2-4,6-8,12-13,20-22H,5,9-11,14-18H2,1H3/t21-,22+/m1/s1
InChIKeyHFKXYZOLNMUSCM-YADHBBJMSA-N
XLogP2.37
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[(1R)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-2-pyrazol-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 45183893
N-[1-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-2-phenylethyl]-N-methyl-2-pyrazol-1-ylacetamide
CID 126462774
N-methyl-N-[2-phenyl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide
CID 45186686
N-[(1R)-2-(3-methoxyphenyl)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42433571
2-(dimethylamino)-N-methyl-N-[(1S)-2-phenyl-1-[1-(4-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]acetamide
CID 42419406
oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone
CID 110399555
N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-[(2S)-2-phenoxypropanoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide
CID 26320957
N-[(1R)-1-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
CID 42500962
N-[(1S)-1-[1-[(2S)-2-acetamido-3-methylbutanoyl]piperidin-4-yl]-2-(2-methylphenyl)ethyl]-N-methyl-2-pyrazol-1-ylacetamide
CID 42373403
N-[(1S)-1-[1-[(2R)-2-acetamido-3-methylbutanoyl]piperidin-4-yl]-2-(2-methylphenyl)ethyl]-N-methyl-2-pyrazol-1-ylacetamide
CID 42373402
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
N-methyl-N-[2-(2-methylphenyl)-1-[1-(2-pyridin-2-ylsulfanylacetyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide
CID 45187460

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1R)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-methyl-N-[(1R)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-2-pyrazol-1-ylacetamide (CID 42238452) is N-methyl-N-[(1R)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-methyl-N-[(1R)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-methyl-N-[(1R)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-2-pyrazol-1-ylacetamide is CN(C(=O)Cn1cccn1)[C@H](Cc1ccccc1)C1CCN(C(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of N-methyl-N-[(1R)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-2-pyrazol-1-ylacetamide?
The InChIKey is HFKXYZOLNMUSCM-YADHBBJMSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-26(23(29)18-28-13-6-12-25-28)21(17-19-7-3-2-4-8-19)20-10-14-27(15-11-20)24(30)22-9-5-16-31-22/h2-4,6-8,12-13,20-22H,5,9-11,14-18H2,1H3/t21-,22+/m1/s1.
What are the key properties of N-methyl-N-[(1R)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-2-pyrazol-1-ylacetamide?
N-methyl-N-[(1R)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-2-pyrazol-1-ylacetamide has a molecular weight of 424.55 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1R)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 42238452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).