N-[1-[2-(4-iodopyrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide

C21H29IN4O2 — CID 14879868

IUPACN-[1-[2-(4-iodopyrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2cc(I)cn2)CC1
InChIInChI=1S/C21H29IN4O2/c1-3-20(27)26(19-7-5-4-6-8-19)21(17-28-2)9-11-24(12-10-21)13-14-25-16-18(22)15-23-25/h4-8,15-16H,3,9-14,17H2,1-2H3
InChIKeyQVCRSUGTXODQQN-UHFFFAOYSA-N
MW496.39 g/mol
LogP3.41
Rot. Bonds8

About N-[1-[2-(4-iodopyrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide

N-[1-[2-(4-iodopyrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 14879868) has the molecular formula C21H29IN4O2 and a molecular weight of 496.39 g/mol. Its IUPAC name is N-[1-[2-(4-iodopyrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(4-iodopyrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID14879868
Molecular FormulaC21H29IN4O2
Molecular Weight496.39 g/mol
Exact Mass496.13
IUPAC NameN-[1-[2-(4-iodopyrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2cc(I)cn2)CC1
InChIInChI=1S/C21H29IN4O2/c1-3-20(27)26(19-7-5-4-6-8-19)21(17-28-2)9-11-24(12-10-21)13-14-25-16-18(22)15-23-25/h4-8,15-16H,3,9-14,17H2,1-2H3
InChIKeyQVCRSUGTXODQQN-UHFFFAOYSA-N
XLogP3.41
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(Phenyl-propionyl-amino)-1-(2-pyrazol-1-yl-ethyl)-piperidine-4-carboxylic acid methyl ester
CID 14879862
N-[4-Methoxymethyl-1-(2-pyrazol-1-yl-ethyl)-piperidin-4-yl]-N-phenyl-propionamide
CID 14879863
N-(2-fluorophenyl)-N-[1-[2-(4-iodopyrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]propanamide
CID 14348728
N-phenyl-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide
CID 14348735
N-[4-(methoxymethyl)-1-(2-pyrrol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 14879859
methyl 1-[2-(3-methylpyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 14879864
methyl 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 14879865
N-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
CID 14879866
methyl 1-[2-(4-iodopyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 14879867
N-(4-morpholinophenyl)-2-(1H-pyrazol-1-yl)acetamide
CID 39724022
US10617680, Example 67
CID 135355370
N-[4-(2-methylmorpholin-4-yl)phenyl]-2-pyrazol-1-ylacetamide
CID 72008605

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-iodopyrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-[2-(4-iodopyrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide (CID 14879868) is N-[1-[2-(4-iodopyrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-[2-(4-iodopyrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-[2-(4-iodopyrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2cc(I)cn2)CC1.
What is the InChIKey of N-[1-[2-(4-iodopyrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is QVCRSUGTXODQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29IN4O2/c1-3-20(27)26(19-7-5-4-6-8-19)21(17-28-2)9-11-24(12-10-21)13-14-25-16-18(22)15-23-25/h4-8,15-16H,3,9-14,17H2,1-2H3.
What are the key properties of N-[1-[2-(4-iodopyrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
N-[1-[2-(4-iodopyrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 496.39 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-iodopyrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 14879868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).