[4-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

C22H28N4O — CID 126436258

IUPAC[4-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCC1(C)CN(C2CCN(C(=O)c3cnccn3)CC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C22H28N4O/c1-22(2)16-26(15-19(22)17-6-4-3-5-7-17)18-8-12-25(13-9-18)21(27)20-14-23-10-11-24-20/h3-7,10-11,14,18-19H,8-9,12-13,15-16H2,1-2H3/t19-/m1/s1
InChIKeyANGSWZSPYQQBDK-LJQANCHMSA-N
MW364.49 g/mol
LogP3.21
Rot. Bonds3

About [4-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

[4-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 126436258) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is [4-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID126436258
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name[4-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCC1(C)CN(C2CCN(C(=O)c3cnccn3)CC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C22H28N4O/c1-22(2)16-26(15-19(22)17-6-4-3-5-7-17)18-8-12-25(13-9-18)21(27)20-14-23-10-11-24-20/h3-7,10-11,14,18-19H,8-9,12-13,15-16H2,1-2H3/t19-/m1/s1
InChIKeyANGSWZSPYQQBDK-LJQANCHMSA-N
XLogP3.21
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 97200921
[4-[2-(2-phenylethyl)morpholin-4-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 56870270
(3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469506
[(2R)-2-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 31414918
3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 134072386
(2-methyl-6-phenylmorpholin-4-yl)-pyrazin-2-ylmethanone
CID 47914748
1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 124951880
[4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 53150710
[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 94823256
[(4S)-4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 125005681
(4-methyl-2-phenylpiperazin-1-yl)-pyrazin-2-ylmethanone
CID 51251944
8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084159

Frequently Asked Questions

What is the IUPAC name of [4-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 126436258) is [4-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is CC1(C)CN(C2CCN(C(=O)c3cnccn3)CC2)C[C@@H]1c1ccccc1.
What is the InChIKey of [4-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is ANGSWZSPYQQBDK-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N4O/c1-22(2)16-26(15-19(22)17-6-4-3-5-7-17)18-8-12-25(13-9-18)21(27)20-14-23-10-11-24-20/h3-7,10-11,14,18-19H,8-9,12-13,15-16H2,1-2H3/t19-/m1/s1.
What are the key properties of [4-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 364.49 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 126436258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).