N-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

C22H30N4O2 — CID 95207571

IUPACN-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccnn1C1CCN(C[C@H]2CCCO2)CC1
InChIInChI=1S/C22H30N4O2/c27-22(9-8-18-5-2-1-3-6-18)24-21-10-13-23-26(21)19-11-14-25(15-12-19)17-20-7-4-16-28-20/h1-3,5-6,10,13,19-20H,4,7-9,11-12,14-17H2,(H,24,27)/t20-/m1/s1
InChIKeyHYPLWIGQTHRAHY-HXUWFJFHSA-N
MW382.51 g/mol
LogP3.27
Rot. Bonds7

About N-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

N-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (PubChem CID 95207571) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
PubChem CID95207571
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccnn1C1CCN(C[C@H]2CCCO2)CC1
InChIInChI=1S/C22H30N4O2/c27-22(9-8-18-5-2-1-3-6-18)24-21-10-13-23-26(21)19-11-14-25(15-12-19)17-20-7-4-16-28-20/h1-3,5-6,10,13,19-20H,4,7-9,11-12,14-17H2,(H,24,27)/t20-/m1/s1
InChIKeyHYPLWIGQTHRAHY-HXUWFJFHSA-N
XLogP3.27
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 25448307
3-phenyl-N-[2-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42155853
N-[2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 42287752
N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 24819374
N-[2-[1-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 42565376
N-[2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 56740279
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-phenoxypropanamide
CID 24817380
4-phenyl-N-[2-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 42514153
N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyridin-4-ylpropanamide
CID 125176299
N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 25369393
3-phenyl-N-[2-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42404341
N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 26328283

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (CID 95207571) is N-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccnn1C1CCN(C[C@H]2CCCO2)CC1.
What is the InChIKey of N-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The InChIKey is HYPLWIGQTHRAHY-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30N4O2/c27-22(9-8-18-5-2-1-3-6-18)24-21-10-13-23-26(21)19-11-14-25(15-12-19)17-20-7-4-16-28-20/h1-3,5-6,10,13,19-20H,4,7-9,11-12,14-17H2,(H,24,27)/t20-/m1/s1.
What are the key properties of N-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
N-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide has a molecular weight of 382.51 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 95207571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).