2-(4-phenylpiperidin-1-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]acetamide

C22H32N4O — CID 92613792

IUPAC2-(4-phenylpiperidin-1-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]acetamide
SMILESCc1nn(C)c(C)c1C[C@@H](C)NC(=O)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H32N4O/c1-16(14-21-17(2)24-25(4)18(21)3)23-22(27)15-26-12-10-20(11-13-26)19-8-6-5-7-9-19/h5-9,16,20H,10-15H2,1-4H3,(H,23,27)/t16-/m1/s1
InChIKeyBTKTUPSGKFPWCY-MRXNPFEDSA-N
MW368.53 g/mol
LogP2.96
Rot. Bonds6

About 2-(4-phenylpiperidin-1-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]acetamide

2-(4-phenylpiperidin-1-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]acetamide (PubChem CID 92613792) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-(4-phenylpiperidin-1-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-phenylpiperidin-1-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]acetamide
PubChem CID92613792
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name2-(4-phenylpiperidin-1-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]acetamide
SMILESCc1nn(C)c(C)c1C[C@@H](C)NC(=O)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H32N4O/c1-16(14-21-17(2)24-25(4)18(21)3)23-22(27)15-26-12-10-20(11-13-26)19-8-6-5-7-9-19/h5-9,16,20H,10-15H2,1-4H3,(H,23,27)/t16-/m1/s1
InChIKeyBTKTUPSGKFPWCY-MRXNPFEDSA-N
XLogP2.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-phenylpiperidin-1-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]acetamide with MolForge

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Related Compounds

2-cyclopropyl-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
CID 92626066
N-[(2R)-3-methylbutan-2-yl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95280817
N-cyclohexyl-2-oxo-1-[2-oxo-2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]ethyl]pyridine-3-carboxamide
CID 110246777
N-[(1R)-1-cyclopropylethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95321250
2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122146158
1-(2-hydroxy-3-phenylpropyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 111482812
1-[2-(2-methylphenyl)cyclopropyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 84585038
1-(6-cyclopropylpyridazin-3-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 97001695
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
(2S)-2-(hydroxymethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrrolidine-1-carboxamide
CID 111508000
(2R)-2-(hydroxymethyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrrolidine-1-carboxamide
CID 95967699
4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperidin-1-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(4-phenylpiperidin-1-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]acetamide (CID 92613792) is 2-(4-phenylpiperidin-1-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(4-phenylpiperidin-1-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(4-phenylpiperidin-1-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]acetamide is Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CN1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-(4-phenylpiperidin-1-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]acetamide?
The InChIKey is BTKTUPSGKFPWCY-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H32N4O/c1-16(14-21-17(2)24-25(4)18(21)3)23-22(27)15-26-12-10-20(11-13-26)19-8-6-5-7-9-19/h5-9,16,20H,10-15H2,1-4H3,(H,23,27)/t16-/m1/s1.
What are the key properties of 2-(4-phenylpiperidin-1-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]acetamide?
2-(4-phenylpiperidin-1-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]acetamide has a molecular weight of 368.53 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperidin-1-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]acetamide is sourced from PubChem (CID 92613792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).