N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide

C20H28N4O — CID 17418634

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCCCC1
InChIInChI=1S/C20H28N4O/c1-16-19(13-21-20(25)15-23-11-7-4-8-12-23)17(2)24(22-16)14-18-9-5-3-6-10-18/h3,5-6,9-10H,4,7-8,11-15H2,1-2H3,(H,21,25)
InChIKeyDQNBTCMFFYQBBF-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.65
Rot. Bonds6

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide (PubChem CID 17418634) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide
PubChem CID17418634
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCCCC1
InChIInChI=1S/C20H28N4O/c1-16-19(13-21-20(25)15-23-11-7-4-8-12-23)17(2)24(22-16)14-18-9-5-3-6-10-18/h3,5-6,9-10H,4,7-8,11-15H2,1-2H3,(H,21,25)
InChIKeyDQNBTCMFFYQBBF-UHFFFAOYSA-N
XLogP2.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ripazepam
CID 33474
N5-cyclopropyl-N3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide
CID 135319024
1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-
CID 3079322
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645919
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-methyl-3-(trifluoromethyl)-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645920
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645926
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-methyl-3-(1,1,2,2,2-pentafluoroethyl)-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645927
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]butan-1-one
CID 23645933
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-methyl-3-(trifluoromethyl)-2H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]butan-1-one
CID 23645935
2-(3,5-dimethylpyrazolyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 856236
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 5302443
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide (CID 17418634) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCCCC1.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide?
The InChIKey is DQNBTCMFFYQBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16-19(13-21-20(25)15-23-11-7-4-8-12-23)17(2)24(22-16)14-18-9-5-3-6-10-18/h3,5-6,9-10H,4,7-8,11-15H2,1-2H3,(H,21,25).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide has a molecular weight of 340.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 17418634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).