N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide

C20H26N4O3 — CID 24791631

IUPACN-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
SMILESCOCCC(=O)N1CCC(n2nccc2NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C20H26N4O3/c1-15-5-3-4-6-17(15)20(26)22-18-7-11-21-24(18)16-8-12-23(13-9-16)19(25)10-14-27-2/h3-7,11,16H,8-10,12-14H2,1-2H3,(H,22,26)
InChIKeyQRIRSFZHESOHNX-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.64
Rot. Bonds6

About N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide

N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide (PubChem CID 24791631) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
PubChem CID24791631
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
SMILESCOCCC(=O)N1CCC(n2nccc2NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C20H26N4O3/c1-15-5-3-4-6-17(15)20(26)22-18-7-11-21-24(18)16-8-12-23(13-9-16)19(25)10-14-27-2/h3-7,11,16H,8-10,12-14H2,1-2H3,(H,22,26)
InChIKeyQRIRSFZHESOHNX-UHFFFAOYSA-N
XLogP2.64
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
The IUPAC name of N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide (CID 24791631) is N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide is COCCC(=O)N1CCC(n2nccc2NC(=O)c2ccccc2C)CC1.
What is the InChIKey of N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
The InChIKey is QRIRSFZHESOHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-15-5-3-4-6-17(15)20(26)22-18-7-11-21-24(18)16-8-12-23(13-9-16)19(25)10-14-27-2/h3-7,11,16H,8-10,12-14H2,1-2H3,(H,22,26).
What are the key properties of N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide has a molecular weight of 370.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide is sourced from PubChem (CID 24791631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).