N-[2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide

C24H27ClN4O2 — CID 45218188

IUPACN-[2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C24H27ClN4O2/c1-31-23(19-7-3-2-4-8-19)24(30)27-22-10-13-26-29(22)21-11-14-28(15-12-21)17-18-6-5-9-20(25)16-18/h2-10,13,16,21,23H,11-12,14-15,17H2,1H3,(H,27,30)
InChIKeyATJJFEYUUQKVSR-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.70
Rot. Bonds7

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

N-[2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide (PubChem CID 45218188) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is N-[2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
PubChem CID45218188
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC NameN-[2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C24H27ClN4O2/c1-31-23(19-7-3-2-4-8-19)24(30)27-22-10-13-26-29(22)21-11-14-28(15-12-21)17-18-6-5-9-20(25)16-18/h2-10,13,16,21,23H,11-12,14-15,17H2,1H3,(H,27,30)
InChIKeyATJJFEYUUQKVSR-UHFFFAOYSA-N
XLogP4.70
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(2R)-N-[2-(1-cyclopentylpiperidin-4-yl)pyrazol-3-yl]-2-methoxy-2-phenylacetamide
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(2S)-2-methoxy-N-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
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methyl 4-[4-[5-[[(2R)-2-methoxy-2-phenylacetyl]amino]pyrazol-1-yl]piperidin-1-yl]-4-oxobutanoate
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(2R)-N-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide (CID 45218188) is N-[2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide is COC(C(=O)Nc1ccnn1C1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The InChIKey is ATJJFEYUUQKVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-31-23(19-7-3-2-4-8-19)24(30)27-22-10-13-26-29(22)21-11-14-28(15-12-21)17-18-6-5-9-20(25)16-18/h2-10,13,16,21,23H,11-12,14-15,17H2,1H3,(H,27,30).
What are the key properties of N-[2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
N-[2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide has a molecular weight of 438.96 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 45218188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).