N-(2-aminophenyl)-4-[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]benzamide

C24H29N5O — CID 162676473

IUPACN-(2-aminophenyl)-4-[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]benzamide
SMILESCc1cn(C)nc1CN1CCC(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1
InChIInChI=1S/C24H29N5O/c1-17-15-28(2)27-23(17)16-29-13-11-19(12-14-29)18-7-9-20(10-8-18)24(30)26-22-6-4-3-5-21(22)25/h3-10,15,19H,11-14,16,25H2,1-2H3,(H,26,30)
InChIKeySSTZFGQDXFRBAZ-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.94
Rot. Bonds5

About N-(2-aminophenyl)-4-[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]benzamide

N-(2-aminophenyl)-4-[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]benzamide (PubChem CID 162676473) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]benzamide
PubChem CID162676473
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-(2-aminophenyl)-4-[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]benzamide
SMILESCc1cn(C)nc1CN1CCC(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1
InChIInChI=1S/C24H29N5O/c1-17-15-28(2)27-23(17)16-29-13-11-19(12-14-29)18-7-9-20(10-8-18)24(30)26-22-6-4-3-5-21(22)25/h3-10,15,19H,11-14,16,25H2,1-2H3,(H,26,30)
InChIKeySSTZFGQDXFRBAZ-UHFFFAOYSA-N
XLogP3.94
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]benzamide (CID 162676473) is N-(2-aminophenyl)-4-[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]benzamide is Cc1cn(C)nc1CN1CCC(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1.
What is the InChIKey of N-(2-aminophenyl)-4-[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]benzamide?
The InChIKey is SSTZFGQDXFRBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-17-15-28(2)27-23(17)16-29-13-11-19(12-14-29)18-7-9-20(10-8-18)24(30)26-22-6-4-3-5-21(22)25/h3-10,15,19H,11-14,16,25H2,1-2H3,(H,26,30).
What are the key properties of N-(2-aminophenyl)-4-[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]benzamide?
N-(2-aminophenyl)-4-[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]benzamide has a molecular weight of 403.53 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 162676473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).