N-[2-[1-[2-(dimethylamino)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C21H27N5O2 — CID 24817731

IUPACN-[2-[1-[2-(dimethylamino)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCN(C)c1ccccc1C(=O)N1CCC(n2nccc2NC(=O)C2CC2)CC1
InChIInChI=1S/C21H27N5O2/c1-24(2)18-6-4-3-5-17(18)21(28)25-13-10-16(11-14-25)26-19(9-12-22-26)23-20(27)15-7-8-15/h3-6,9,12,15-16H,7-8,10-11,13-14H2,1-2H3,(H,23,27)
InChIKeyJHMIQPQNNFOPPM-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.77
Rot. Bonds5

About N-[2-[1-[2-(dimethylamino)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-[2-(dimethylamino)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 24817731) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-[1-[2-(dimethylamino)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(dimethylamino)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID24817731
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[2-[1-[2-(dimethylamino)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCN(C)c1ccccc1C(=O)N1CCC(n2nccc2NC(=O)C2CC2)CC1
InChIInChI=1S/C21H27N5O2/c1-24(2)18-6-4-3-5-17(18)21(28)25-13-10-16(11-14-25)26-19(9-12-22-26)23-20(27)15-7-8-15/h3-6,9,12,15-16H,7-8,10-11,13-14H2,1-2H3,(H,23,27)
InChIKeyJHMIQPQNNFOPPM-UHFFFAOYSA-N
XLogP2.77
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[1-[2-(dimethylamino)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide 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-[2-(dimethylamino)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[2-(dimethylamino)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 24817731) is N-[2-[1-[2-(dimethylamino)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[2-(dimethylamino)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[2-(dimethylamino)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is CN(C)c1ccccc1C(=O)N1CCC(n2nccc2NC(=O)C2CC2)CC1.
What is the InChIKey of N-[2-[1-[2-(dimethylamino)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is JHMIQPQNNFOPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-24(2)18-6-4-3-5-17(18)21(28)25-13-10-16(11-14-25)26-19(9-12-22-26)23-20(27)15-7-8-15/h3-6,9,12,15-16H,7-8,10-11,13-14H2,1-2H3,(H,23,27).
What are the key properties of N-[2-[1-[2-(dimethylamino)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-[2-(dimethylamino)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(dimethylamino)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 24817731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).