N-[(4-chlorophenyl)methyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide

C20H27ClN4O — CID 126437716

IUPACN-[(4-chlorophenyl)methyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide
SMILESCCCN(Cc1ccc(Cl)cc1)C(=O)Cn1ccc([C@@H]2CCCNC2)n1
InChIInChI=1S/C20H27ClN4O/c1-2-11-24(14-16-5-7-18(21)8-6-16)20(26)15-25-12-9-19(23-25)17-4-3-10-22-13-17/h5-9,12,17,22H,2-4,10-11,13-15H2,1H3/t17-/m1/s1
InChIKeyHZFMJGPHZYKVLU-QGZVFWFLSA-N
MW374.92 g/mol
LogP3.44
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide

N-[(4-chlorophenyl)methyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide (PubChem CID 126437716) has the molecular formula C20H27ClN4O and a molecular weight of 374.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide
PubChem CID126437716
Molecular FormulaC20H27ClN4O
Molecular Weight374.92 g/mol
Exact Mass374.19
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide
SMILESCCCN(Cc1ccc(Cl)cc1)C(=O)Cn1ccc([C@@H]2CCCNC2)n1
InChIInChI=1S/C20H27ClN4O/c1-2-11-24(14-16-5-7-18(21)8-6-16)20(26)15-25-12-9-19(23-25)17-4-3-10-22-13-17/h5-9,12,17,22H,2-4,10-11,13-15H2,1H3/t17-/m1/s1
InChIKeyHZFMJGPHZYKVLU-QGZVFWFLSA-N
XLogP3.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-propylacetamide
CID 119073593
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride
CID 154906002
N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide;hydrochloride
CID 154903804
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126454183
ethyl 4-[[2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 126436811
N-(oxan-4-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126440551
N-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428514
N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide
CID 126425206
N-[(4-methylsulfanylphenyl)methyl]-4-[(3R)-piperidin-3-yl]-N-propylbenzamide
CID 97200422
2-(3-piperidin-3-ylpyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;dihydrochloride
CID 154904644
N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126426695
N-benzyl-N-ethyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119069345

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide (CID 126437716) is N-[(4-chlorophenyl)methyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide is CCCN(Cc1ccc(Cl)cc1)C(=O)Cn1ccc([C@@H]2CCCNC2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide?
The InChIKey is HZFMJGPHZYKVLU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27ClN4O/c1-2-11-24(14-16-5-7-18(21)8-6-16)20(26)15-25-12-9-19(23-25)17-4-3-10-22-13-17/h5-9,12,17,22H,2-4,10-11,13-15H2,1H3/t17-/m1/s1.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide?
N-[(4-chlorophenyl)methyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide has a molecular weight of 374.92 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide is sourced from PubChem (CID 126437716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).