2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(2-phenylpropyl)acetamide

C20H28N4O — CID 51104331

IUPAC2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)CN1CCC(c2ccnn2C)CC1)c1ccccc1
InChIInChI=1S/C20H28N4O/c1-16(17-6-4-3-5-7-17)14-21-20(25)15-24-12-9-18(10-13-24)19-8-11-22-23(19)2/h3-8,11,16,18H,9-10,12-15H2,1-2H3,(H,21,25)
InChIKeyVAEWJLVRWGKMBY-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.52
Rot. Bonds6

About 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(2-phenylpropyl)acetamide

2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(2-phenylpropyl)acetamide (PubChem CID 51104331) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(2-phenylpropyl)acetamide
PubChem CID51104331
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)CN1CCC(c2ccnn2C)CC1)c1ccccc1
InChIInChI=1S/C20H28N4O/c1-16(17-6-4-3-5-7-17)14-21-20(25)15-24-12-9-18(10-13-24)19-8-11-22-23(19)2/h3-8,11,16,18H,9-10,12-15H2,1-2H3,(H,21,25)
InChIKeyVAEWJLVRWGKMBY-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]piperidine-4-carboxylate
CID 8754473
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 30635957
(2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one
CID 124696045
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 8743522
2-[4-[2-(2,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 30737553
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
CID 146131833
N-(2-phenylpropyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 18191742
2-[3-cyclopropyl-5-[2-oxo-2-(2-phenylpropylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide
CID 42936026
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663
N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide
CID 92707865
1-[2-[2-(1,3-benzothiazol-2-yl)propylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 49433659
2-(4-methylpiperazin-1-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 167962986

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(2-phenylpropyl)acetamide (CID 51104331) is 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(2-phenylpropyl)acetamide is CC(CNC(=O)CN1CCC(c2ccnn2C)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(2-phenylpropyl)acetamide?
The InChIKey is VAEWJLVRWGKMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16(17-6-4-3-5-7-17)14-21-20(25)15-24-12-9-18(10-13-24)19-8-11-22-23(19)2/h3-8,11,16,18H,9-10,12-15H2,1-2H3,(H,21,25).
What are the key properties of 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(2-phenylpropyl)acetamide?
2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(2-phenylpropyl)acetamide has a molecular weight of 340.47 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 51104331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).