2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C23H30N4O3 — CID 92880086

IUPAC2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1nn(-c2ccccc2)cc1C(=O)N1CCC(CC(=O)NC[C@H]2CCCO2)CC1
InChIInChI=1S/C23H30N4O3/c1-17-21(16-27(25-17)19-6-3-2-4-7-19)23(29)26-11-9-18(10-12-26)14-22(28)24-15-20-8-5-13-30-20/h2-4,6-7,16,18,20H,5,8-15H2,1H3,(H,24,28)/t20-/m1/s1
InChIKeyNECIBGSDXBLUBK-HXUWFJFHSA-N
MW410.52 g/mol
LogP2.72
Rot. Bonds6

About 2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 92880086) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID92880086
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1nn(-c2ccccc2)cc1C(=O)N1CCC(CC(=O)NC[C@H]2CCCO2)CC1
InChIInChI=1S/C23H30N4O3/c1-17-21(16-27(25-17)19-6-3-2-4-7-19)23(29)26-11-9-18(10-12-26)14-22(28)24-15-20-8-5-13-30-20/h2-4,6-7,16,18,20H,5,8-15H2,1H3,(H,24,28)/t20-/m1/s1
InChIKeyNECIBGSDXBLUBK-HXUWFJFHSA-N
XLogP2.72
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46377846
[3-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119540836
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119623914
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 2593655
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46294822
N-[[(2R)-oxolan-2-yl]methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide
CID 92503911
N-(oxolan-2-ylmethyl)-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide
CID 20971754
N-[[(2S)-oxolan-2-yl]methyl]-2-[(1-phenylpyrazol-3-yl)methylsulfanyl]acetamide
CID 97083267
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8703402
N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 99626102
[4-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119519261
methyl 2,4-dimethyl-5-[4-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 94078393

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 92880086) is 2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is Cc1nn(-c2ccccc2)cc1C(=O)N1CCC(CC(=O)NC[C@H]2CCCO2)CC1.
What is the InChIKey of 2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is NECIBGSDXBLUBK-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-17-21(16-27(25-17)19-6-3-2-4-7-19)23(29)26-11-9-18(10-12-26)14-22(28)24-15-20-8-5-13-30-20/h2-4,6-7,16,18,20H,5,8-15H2,1H3,(H,24,28)/t20-/m1/s1.
What are the key properties of 2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 410.52 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 92880086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).