[(2R,4R)-2,4-diphenylpiperidin-1-yl]-[(3S)-4-[2-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methanone

C31H32N4O — CID 68768939

IUPAC[(2R,4R)-2,4-diphenylpiperidin-1-yl]-[(3S)-4-[2-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methanone
SMILESO=C([C@@H]1CNCC1c1ccccc1-c1cn[nH]c1)N1CC[C@@H](c2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C31H32N4O/c36-31(29-21-32-20-28(29)27-14-8-7-13-26(27)25-18-33-34-19-25)35-16-15-24(22-9-3-1-4-10-22)17-30(35)23-11-5-2-6-12-23/h1-14,18-19,24,28-30,32H,15-17,20-21H2,(H,33,34)/t24-,28?,29-,30-/m1/s1
InChIKeyLVOXMTTUBOXEMQ-NPANERNHSA-N
MW476.62 g/mol
LogP5.53
Rot. Bonds5

About [(2R,4R)-2,4-diphenylpiperidin-1-yl]-[(3S)-4-[2-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methanone

[(2R,4R)-2,4-diphenylpiperidin-1-yl]-[(3S)-4-[2-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methanone (PubChem CID 68768939) has the molecular formula C31H32N4O and a molecular weight of 476.62 g/mol. Its IUPAC name is [(2R,4R)-2,4-diphenylpiperidin-1-yl]-[(3S)-4-[2-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[(2R,4R)-2,4-diphenylpiperidin-1-yl]-[(3S)-4-[2-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methanone
PubChem CID68768939
Molecular FormulaC31H32N4O
Molecular Weight476.62 g/mol
Exact Mass476.26
IUPAC Name[(2R,4R)-2,4-diphenylpiperidin-1-yl]-[(3S)-4-[2-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methanone
SMILESO=C([C@@H]1CNCC1c1ccccc1-c1cn[nH]c1)N1CC[C@@H](c2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C31H32N4O/c36-31(29-21-32-20-28(29)27-14-8-7-13-26(27)25-18-33-34-19-25)35-16-15-24(22-9-3-1-4-10-22)17-30(35)23-11-5-2-6-12-23/h1-14,18-19,24,28-30,32H,15-17,20-21H2,(H,33,34)/t24-,28?,29-,30-/m1/s1
InChIKeyLVOXMTTUBOXEMQ-NPANERNHSA-N
XLogP5.53
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3S,4R)-4-(2-pyridin-3-ylphenyl)pyrrolidin-3-yl]methanone
CID 42646059
[(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3S,4R)-4-[2-(1H-pyrazol-2-ium-4-yl)phenyl]pyrrolidin-3-yl]methanone
CID 59563626
[(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3S)-4-(2-pyrimidin-1-ium-5-ylphenyl)pyrrolidin-3-yl]methanone
CID 143821606
[(3S,4R)-4-(2-cyclopropylphenyl)pyrrolidin-3-yl]-[(2R,4S)-2,4-diphenylpiperidin-1-yl]methanone
CID 42646547
[(3S,4R)-4-(2-bromophenyl)pyrrolidin-3-yl]-(2-methyl-4-phenylpiperidin-1-yl)methanone
CID 59563609
[(3S,4R)-4-(2-bromophenyl)pyrrolidin-3-yl]-[(2R,4S)-2-phenyl-4-pyridin-1-ium-2-ylpiperidin-1-yl]methanone
CID 59563637
(2,4-diphenylpiperidin-1-yl)-[(3S)-4-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanone
CID 143821628
[(2S,4S)-2,4-diphenylpiperidin-1-yl]-[(3S,4R)-4-[3-(2-methoxyethyl)phenyl]pyrrolidin-3-yl]methanone
CID 71204800
[(3S,4R)-4-(2-bromophenyl)pyrrolidin-3-yl]-(4-methyl-2-phenylpiperidin-1-yl)methanone
CID 59563628
[(3S,4R)-4-[2-(1-methylpyrazol-4-yl)phenyl]pyrrolidin-3-yl]-[(3S)-3-phenylmorpholin-4-yl]methanone
CID 42647032
[(3S,4R)-4-(2-bromophenyl)pyrrolidin-3-yl]-(2-phenyl-4-propylpiperidin-1-yl)methanone
CID 59563656
[(3S)-3-phenylmorpholin-4-yl]-[(4R)-4-(2-thiophen-3-ylphenyl)pyrrolidin-3-yl]methanone
CID 68765037

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2,4-diphenylpiperidin-1-yl]-[(3S)-4-[2-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methanone?
The IUPAC name of [(2R,4R)-2,4-diphenylpiperidin-1-yl]-[(3S)-4-[2-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methanone (CID 68768939) is [(2R,4R)-2,4-diphenylpiperidin-1-yl]-[(3S)-4-[2-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methanone.
What is the SMILES notation for [(2R,4R)-2,4-diphenylpiperidin-1-yl]-[(3S)-4-[2-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methanone?
The canonical SMILES for [(2R,4R)-2,4-diphenylpiperidin-1-yl]-[(3S)-4-[2-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methanone is O=C([C@@H]1CNCC1c1ccccc1-c1cn[nH]c1)N1CC[C@@H](c2ccccc2)C[C@@H]1c1ccccc1.
What is the InChIKey of [(2R,4R)-2,4-diphenylpiperidin-1-yl]-[(3S)-4-[2-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methanone?
The InChIKey is LVOXMTTUBOXEMQ-NPANERNHSA-N. The full InChI is InChI=1S/C31H32N4O/c36-31(29-21-32-20-28(29)27-14-8-7-13-26(27)25-18-33-34-19-25)35-16-15-24(22-9-3-1-4-10-22)17-30(35)23-11-5-2-6-12-23/h1-14,18-19,24,28-30,32H,15-17,20-21H2,(H,33,34)/t24-,28?,29-,30-/m1/s1.
What are the key properties of [(2R,4R)-2,4-diphenylpiperidin-1-yl]-[(3S)-4-[2-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methanone?
[(2R,4R)-2,4-diphenylpiperidin-1-yl]-[(3S)-4-[2-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methanone has a molecular weight of 476.62 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2,4-diphenylpiperidin-1-yl]-[(3S)-4-[2-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methanone is sourced from PubChem (CID 68768939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).