N-[2-(1-benzylpiperidin-2-yl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide

C20H28N4O2 — CID 118775600

IUPACN-[2-(1-benzylpiperidin-2-yl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
SMILESCc1[nH][nH]c(=O)c1CC(=O)NCCC1CCCCN1Cc1ccccc1
InChIInChI=1S/C20H28N4O2/c1-15-18(20(26)23-22-15)13-19(25)21-11-10-17-9-5-6-12-24(17)14-16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-14H2,1H3,(H,21,25)(H2,22,23,26)
InChIKeyCUVAPXKISBTEBO-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.11
Rot. Bonds7

About N-[2-(1-benzylpiperidin-2-yl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide

N-[2-(1-benzylpiperidin-2-yl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide (PubChem CID 118775600) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-2-yl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-2-yl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
PubChem CID118775600
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[2-(1-benzylpiperidin-2-yl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
SMILESCc1[nH][nH]c(=O)c1CC(=O)NCCC1CCCCN1Cc1ccccc1
InChIInChI=1S/C20H28N4O2/c1-15-18(20(26)23-22-15)13-19(25)21-11-10-17-9-5-6-12-24(17)14-16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-14H2,1H3,(H,21,25)(H2,22,23,26)
InChIKeyCUVAPXKISBTEBO-UHFFFAOYSA-N
XLogP2.11
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzylpiperidin-2-yl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
CID 131936710
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CID 125158764
N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-oxo-1,4-diazepane-1-carboxamide
CID 126453267
1-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea
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2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 131894060
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(2H-tetrazol-5-ylmethyl)urea
CID 126450941
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
CID 97167936
N-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide
CID 167190709
N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119861781
N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
CID 60595063

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-2-yl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
The IUPAC name of N-[2-(1-benzylpiperidin-2-yl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide (CID 118775600) is N-[2-(1-benzylpiperidin-2-yl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-2-yl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-2-yl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide is Cc1[nH][nH]c(=O)c1CC(=O)NCCC1CCCCN1Cc1ccccc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-2-yl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
The InChIKey is CUVAPXKISBTEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15-18(20(26)23-22-15)13-19(25)21-11-10-17-9-5-6-12-24(17)14-16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-14H2,1H3,(H,21,25)(H2,22,23,26).
What are the key properties of N-[2-(1-benzylpiperidin-2-yl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
N-[2-(1-benzylpiperidin-2-yl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide has a molecular weight of 356.47 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-2-yl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide is sourced from PubChem (CID 118775600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).