[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidin-1-yl]-(2-propan-2-ylphenyl)methanone

C22H31N3O2 — CID 121344805

IUPAC[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidin-1-yl]-(2-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccccc1C(=O)N1C[C@H](n2cc(C(C)(C)O)cn2)CC[C@H]1C
InChIInChI=1S/C22H31N3O2/c1-15(2)19-8-6-7-9-20(19)21(26)24-14-18(11-10-16(24)3)25-13-17(12-23-25)22(4,5)27/h6-9,12-13,15-16,18,27H,10-11,14H2,1-5H3/t16-,18-/m1/s1
InChIKeyPZDGRLGNOAVIKN-SJLPKXTDSA-N
MW369.51 g/mol
LogP4.10
Rot. Bonds4

About [(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidin-1-yl]-(2-propan-2-ylphenyl)methanone

[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidin-1-yl]-(2-propan-2-ylphenyl)methanone (PubChem CID 121344805) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is [(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidin-1-yl]-(2-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidin-1-yl]-(2-propan-2-ylphenyl)methanone
PubChem CID121344805
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidin-1-yl]-(2-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccccc1C(=O)N1C[C@H](n2cc(C(C)(C)O)cn2)CC[C@H]1C
InChIInChI=1S/C22H31N3O2/c1-15(2)19-8-6-7-9-20(19)21(26)24-14-18(11-10-16(24)3)25-13-17(12-23-25)22(4,5)27/h6-9,12-13,15-16,18,27H,10-11,14H2,1-5H3/t16-,18-/m1/s1
InChIKeyPZDGRLGNOAVIKN-SJLPKXTDSA-N
XLogP4.10
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-4-yl)phenyl]ethane-1,2-dione
CID 44191530
2-Methyl-4-(1-methylpyrazol-4-yl)isoquinolin-1-one
CID 118022266
Tert-butyl 4-[cyclopropyl-[4-(1-methylpyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate
CID 73387819
2-{1-[(3R,6R)-1-{[2-(2,2-Difluoroethyl)phenyl]carbonyl}-6-methylpiperidin-3-yl]-1H-pyrazol-4-yl}propan-2-ol
CID 121314095
2-{1-[(3R,6R)-1-({2-[(1S)-2,2-Difluorocyclopropyl]phenyl}carbonyl)-6-methylpiperidin-3-yl]-1H-pyrazol-4-yl}propan-2-ol
CID 121314179
2-{1-[(3R,6R)-1-({2-[(1R)-2,2-Difluorocyclopropyl]phenyl}carbonyl)-6-methylpiperidin-3-yl]-1H-pyrazol-4-yl}propan-2-ol
CID 121314183
2-{1-[(3R,6R)-6-Methyl-1-({2-[(trifluoromethyl)sulfanyl]phenyl} carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl}propan-2-ol
CID 121314184
(4-tert-butylphenyl){1-[(2E)-3-(1-methyl-1H-pyrazol-4-yl)-2-propenoyl]-3-piperidinyl}methanone
CID 16189784
(4-tert-butylphenyl){1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinyl}methanone
CID 16190561
(4-((1H-pyrazol-1-yl)methyl)piperidin-1-yl)(2-(trifluoromethyl)phenyl)methanone
CID 52906696
2-(1-{(3R,6R)-6-Methyl-1-[(2-propylphenyl)carbonyl]piperidin-3-yl}-1H-pyrazol-4-yl)propan-2-ol
CID 121314056
2-{1-[(3R,6R)-6-Methyl-1-{[2-(1H-pyrazol-1-yl)phenyl]carbonyl}piperidin-3-yl]-1H-pyrazol-4-yl}propan-2-ol
CID 121314180

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidin-1-yl]-(2-propan-2-ylphenyl)methanone?
The IUPAC name of [(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidin-1-yl]-(2-propan-2-ylphenyl)methanone (CID 121344805) is [(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidin-1-yl]-(2-propan-2-ylphenyl)methanone.
What is the SMILES notation for [(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidin-1-yl]-(2-propan-2-ylphenyl)methanone?
The canonical SMILES for [(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidin-1-yl]-(2-propan-2-ylphenyl)methanone is CC(C)c1ccccc1C(=O)N1C[C@H](n2cc(C(C)(C)O)cn2)CC[C@H]1C.
What is the InChIKey of [(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidin-1-yl]-(2-propan-2-ylphenyl)methanone?
The InChIKey is PZDGRLGNOAVIKN-SJLPKXTDSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-15(2)19-8-6-7-9-20(19)21(26)24-14-18(11-10-16(24)3)25-13-17(12-23-25)22(4,5)27/h6-9,12-13,15-16,18,27H,10-11,14H2,1-5H3/t16-,18-/m1/s1.
What are the key properties of [(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidin-1-yl]-(2-propan-2-ylphenyl)methanone?
[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidin-1-yl]-(2-propan-2-ylphenyl)methanone has a molecular weight of 369.51 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidin-1-yl]-(2-propan-2-ylphenyl)methanone is sourced from PubChem (CID 121344805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).