N-benzyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide

C17H22N4O — CID 51104503

IUPACN-benzyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2ccn[nH]2)CC1)NCc1ccccc1
InChIInChI=1S/C17H22N4O/c22-17(18-12-14-4-2-1-3-5-14)13-21-10-7-15(8-11-21)16-6-9-19-20-16/h1-6,9,15H,7-8,10-13H2,(H,18,22)(H,19,20)
InChIKeyATXHNSDZJNYTIL-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.91
Rot. Bonds5

About N-benzyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide

N-benzyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide (PubChem CID 51104503) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-benzyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
PubChem CID51104503
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-benzyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2ccn[nH]2)CC1)NCc1ccccc1
InChIInChI=1S/C17H22N4O/c22-17(18-12-14-4-2-1-3-5-14)13-21-10-7-15(8-11-21)16-6-9-19-20-16/h1-6,9,15H,7-8,10-13H2,(H,18,22)(H,19,20)
InChIKeyATXHNSDZJNYTIL-UHFFFAOYSA-N
XLogP1.91
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166186970
2-(4-benzoylpiperidin-1-yl)-N-benzylacetamide
CID 26037570
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-benzylacetamide
CID 66202371
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 94819756
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
N-(1-cyanocyclopentyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 51104474
2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide
CID 60510811
N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 51104392
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
N-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 75391386
N-benzyl-2-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]acetamide
CID 163526789

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide (CID 51104503) is N-benzyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(c2ccn[nH]2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The InChIKey is ATXHNSDZJNYTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17(18-12-14-4-2-1-3-5-14)13-21-10-7-15(8-11-21)16-6-9-19-20-16/h1-6,9,15H,7-8,10-13H2,(H,18,22)(H,19,20).
What are the key properties of N-benzyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
N-benzyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide has a molecular weight of 298.39 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 51104503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).