2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(1-phenylethyl)acetamide

C21H28N4O2 — CID 110246315

IUPAC2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(1-phenylethyl)acetamide
SMILESCCn1ccc(C(=O)N2CCC(CC(=O)NC(C)c3ccccc3)CC2)n1
InChIInChI=1S/C21H28N4O2/c1-3-25-14-11-19(23-25)21(27)24-12-9-17(10-13-24)15-20(26)22-16(2)18-7-5-4-6-8-18/h4-8,11,14,16-17H,3,9-10,12-13,15H2,1-2H3,(H,22,26)
InChIKeyUBCUBNRPGJVAIX-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.02
Rot. Bonds6

About 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(1-phenylethyl)acetamide

2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(1-phenylethyl)acetamide (PubChem CID 110246315) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(1-phenylethyl)acetamide
PubChem CID110246315
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(1-phenylethyl)acetamide
SMILESCCn1ccc(C(=O)N2CCC(CC(=O)NC(C)c3ccccc3)CC2)n1
InChIInChI=1S/C21H28N4O2/c1-3-25-14-11-19(23-25)21(27)24-12-9-17(10-13-24)15-20(26)22-16(2)18-7-5-4-6-8-18/h4-8,11,14,16-17H,3,9-10,12-13,15H2,1-2H3,(H,22,26)
InChIKeyUBCUBNRPGJVAIX-UHFFFAOYSA-N
XLogP3.02
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 92633913
2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide
CID 110754745
2-cyclopentyl-N-[(R)-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92590234
N-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide
CID 52998819
N-(4-methylphenyl)-5-[4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330820
2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 92633969
(1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 163333524
(1-ethylpyrazol-3-yl)-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone
CID 50846942
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
1-[2-(1-ethylpyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-3-phenylbutan-1-one
CID 146098801
(3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone
CID 56725198
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 95750159

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(1-phenylethyl)acetamide (CID 110246315) is 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(1-phenylethyl)acetamide is CCn1ccc(C(=O)N2CCC(CC(=O)NC(C)c3ccccc3)CC2)n1.
What is the InChIKey of 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(1-phenylethyl)acetamide?
The InChIKey is UBCUBNRPGJVAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-3-25-14-11-19(23-25)21(27)24-12-9-17(10-13-24)15-20(26)22-16(2)18-7-5-4-6-8-18/h4-8,11,14,16-17H,3,9-10,12-13,15H2,1-2H3,(H,22,26).
What are the key properties of 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(1-phenylethyl)acetamide?
2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 110246315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).