2-(1-benzylpiperidin-4-yl)-N-[(1R)-1-(1-methylpyrazol-4-yl)propyl]acetamide

C21H30N4O — CID 124752350

IUPAC2-(1-benzylpiperidin-4-yl)-N-[(1R)-1-(1-methylpyrazol-4-yl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)c1cnn(C)c1
InChIInChI=1S/C21H30N4O/c1-3-20(19-14-22-24(2)16-19)23-21(26)13-17-9-11-25(12-10-17)15-18-7-5-4-6-8-18/h4-8,14,16-17,20H,3,9-13,15H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyJHEQQCTYPMPSBX-HXUWFJFHSA-N
MW354.50 g/mol
LogP3.29
Rot. Bonds7

About 2-(1-benzylpiperidin-4-yl)-N-[(1R)-1-(1-methylpyrazol-4-yl)propyl]acetamide

2-(1-benzylpiperidin-4-yl)-N-[(1R)-1-(1-methylpyrazol-4-yl)propyl]acetamide (PubChem CID 124752350) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-N-[(1R)-1-(1-methylpyrazol-4-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-N-[(1R)-1-(1-methylpyrazol-4-yl)propyl]acetamide
PubChem CID124752350
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name2-(1-benzylpiperidin-4-yl)-N-[(1R)-1-(1-methylpyrazol-4-yl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)c1cnn(C)c1
InChIInChI=1S/C21H30N4O/c1-3-20(19-14-22-24(2)16-19)23-21(26)13-17-9-11-25(12-10-17)15-18-7-5-4-6-8-18/h4-8,14,16-17,20H,3,9-13,15H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyJHEQQCTYPMPSBX-HXUWFJFHSA-N
XLogP3.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzylpiperidin-4-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 124850321
2-(1-benzylpiperidin-4-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide
CID 134708490
2-(1-benzylpiperidin-4-yl)-N-(5-methyl-2-propylpyrazol-3-yl)acetamide
CID 134706145
N-[(1S)-1-(4-hydroxyphenyl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 97197132
2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-fluorophenyl)propyl]acetamide
CID 97205946
N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(1-benzylpiperidin-4-yl)acetamide
CID 124752195
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-(1-propylpiperidin-4-yl)acetamide
CID 72872753
propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate
CID 83983157
2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 72915989
1-benzyl-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide
CID 46766819
N-benzhydryl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetamide
CID 10344048

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-N-[(1R)-1-(1-methylpyrazol-4-yl)propyl]acetamide?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-N-[(1R)-1-(1-methylpyrazol-4-yl)propyl]acetamide (CID 124752350) is 2-(1-benzylpiperidin-4-yl)-N-[(1R)-1-(1-methylpyrazol-4-yl)propyl]acetamide.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-N-[(1R)-1-(1-methylpyrazol-4-yl)propyl]acetamide?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-N-[(1R)-1-(1-methylpyrazol-4-yl)propyl]acetamide is CC[C@@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)c1cnn(C)c1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-N-[(1R)-1-(1-methylpyrazol-4-yl)propyl]acetamide?
The InChIKey is JHEQQCTYPMPSBX-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H30N4O/c1-3-20(19-14-22-24(2)16-19)23-21(26)13-17-9-11-25(12-10-17)15-18-7-5-4-6-8-18/h4-8,14,16-17,20H,3,9-13,15H2,1-2H3,(H,23,26)/t20-/m1/s1.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-N-[(1R)-1-(1-methylpyrazol-4-yl)propyl]acetamide?
2-(1-benzylpiperidin-4-yl)-N-[(1R)-1-(1-methylpyrazol-4-yl)propyl]acetamide has a molecular weight of 354.50 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-N-[(1R)-1-(1-methylpyrazol-4-yl)propyl]acetamide is sourced from PubChem (CID 124752350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).