2-(3-methylphenyl)-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide

C23H26N4O — CID 99740846

IUPAC2-(3-methylphenyl)-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
SMILESCc1cccc(CC(=O)N[C@H]2CCCN(c3cc(-c4ccccc4)[nH]n3)C2)c1
InChIInChI=1S/C23H26N4O/c1-17-7-5-8-18(13-17)14-23(28)24-20-11-6-12-27(16-20)22-15-21(25-26-22)19-9-3-2-4-10-19/h2-5,7-10,13,15,20H,6,11-12,14,16H2,1H3,(H,24,28)(H,25,26)/t20-/m0/s1
InChIKeyJXPZJBGFAUQMAQ-FQEVSTJZSA-N
MW374.49 g/mol
LogP3.71
Rot. Bonds5

About 2-(3-methylphenyl)-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide

2-(3-methylphenyl)-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide (PubChem CID 99740846) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
PubChem CID99740846
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-(3-methylphenyl)-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
SMILESCc1cccc(CC(=O)N[C@H]2CCCN(c3cc(-c4ccccc4)[nH]n3)C2)c1
InChIInChI=1S/C23H26N4O/c1-17-7-5-8-18(13-17)14-23(28)24-20-11-6-12-27(16-20)22-15-21(25-26-22)19-9-3-2-4-10-19/h2-5,7-10,13,15,20H,6,11-12,14,16H2,1H3,(H,24,28)(H,25,26)/t20-/m0/s1
InChIKeyJXPZJBGFAUQMAQ-FQEVSTJZSA-N
XLogP3.71
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99740798
2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99756596
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-3-ylacetamide
CID 91887783
2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99756157
N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-phenylacetamide
CID 99741278
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide
CID 99740951
N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide
CID 99756654
2-(3-fluorophenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide
CID 99741612
3-fluoro-4-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740769
3-bromo-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740851
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-3-carboxamide
CID 91914548
N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide
CID 99756595

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide (CID 99740846) is 2-(3-methylphenyl)-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide is Cc1cccc(CC(=O)N[C@H]2CCCN(c3cc(-c4ccccc4)[nH]n3)C2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide?
The InChIKey is JXPZJBGFAUQMAQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-7-5-8-18(13-17)14-23(28)24-20-11-6-12-27(16-20)22-15-21(25-26-22)19-9-3-2-4-10-19/h2-5,7-10,13,15,20H,6,11-12,14,16H2,1H3,(H,24,28)(H,25,26)/t20-/m0/s1.
What are the key properties of 2-(3-methylphenyl)-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide?
2-(3-methylphenyl)-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide has a molecular weight of 374.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 99740846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).