2-(1-benzylpiperidin-4-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide

C21H30N4O2 — CID 124850321

IUPAC2-(1-benzylpiperidin-4-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
SMILESCOC[C@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)c1ccnn1C
InChIInChI=1S/C21H30N4O2/c1-24-20(8-11-22-24)19(16-27-2)23-21(26)14-17-9-12-25(13-10-17)15-18-6-4-3-5-7-18/h3-8,11,17,19H,9-10,12-16H2,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyQJUDOSMFJGUKHP-IBGZPJMESA-N
MW370.50 g/mol
LogP2.53
Rot. Bonds8

About 2-(1-benzylpiperidin-4-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide

2-(1-benzylpiperidin-4-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide (PubChem CID 124850321) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
PubChem CID124850321
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-(1-benzylpiperidin-4-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
SMILESCOC[C@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)c1ccnn1C
InChIInChI=1S/C21H30N4O2/c1-24-20(8-11-22-24)19(16-27-2)23-21(26)14-17-9-12-25(13-10-17)15-18-6-4-3-5-7-18/h3-8,11,17,19H,9-10,12-16H2,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyQJUDOSMFJGUKHP-IBGZPJMESA-N
XLogP2.53
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzylpiperidin-4-yl)-N-[(1R)-1-(1-methylpyrazol-4-yl)propyl]acetamide
CID 124752350
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 126451107
N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide
CID 95144214
N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(1-benzylpiperidin-4-yl)acetamide
CID 124752195
propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate
CID 83983157
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea
CID 72935999
1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea
CID 108813846
acetyl 2-(1-benzylpiperidin-4-yl)acetate
CID 175102662
2-(1-benzylpiperidin-4-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide
CID 134708490
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
methyl 2-(1-benzylpiperidin-4-yl)ethanimidate;dihydrochloride
CID 14518101

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide (CID 124850321) is 2-(1-benzylpiperidin-4-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide is COC[C@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)c1ccnn1C.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide?
The InChIKey is QJUDOSMFJGUKHP-IBGZPJMESA-N. The full InChI is InChI=1S/C21H30N4O2/c1-24-20(8-11-22-24)19(16-27-2)23-21(26)14-17-9-12-25(13-10-17)15-18-6-4-3-5-7-18/h3-8,11,17,19H,9-10,12-16H2,1-2H3,(H,23,26)/t19-/m0/s1.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide?
2-(1-benzylpiperidin-4-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide has a molecular weight of 370.50 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 124850321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).