[(3R)-3-[[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone

C21H31N3O2 — CID 124740652

IUPAC[(3R)-3-[[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CC[C@H](CN2CCN(C[C@H]3CCOC3)CC2)C1
InChIInChI=1S/C21H31N3O2/c25-21(20-4-2-1-3-5-20)24-8-6-18(16-24)14-22-9-11-23(12-10-22)15-19-7-13-26-17-19/h1-5,18-19H,6-17H2/t18-,19-/m1/s1
InChIKeyUVGYGXNBLDJCBR-RTBURBONSA-N
MW357.50 g/mol
LogP1.80
Rot. Bonds5

About [(3R)-3-[[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone

[(3R)-3-[[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 124740652) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is [(3R)-3-[[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R)-3-[[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
PubChem CID124740652
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name[(3R)-3-[[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CC[C@H](CN2CCN(C[C@H]3CCOC3)CC2)C1
InChIInChI=1S/C21H31N3O2/c25-21(20-4-2-1-3-5-20)24-8-6-18(16-24)14-22-9-11-23(12-10-22)15-19-7-13-26-17-19/h1-5,18-19H,6-17H2/t18-,19-/m1/s1
InChIKeyUVGYGXNBLDJCBR-RTBURBONSA-N
XLogP1.80
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-[[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone with MolForge

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Related Compounds

[4-[(1-benzoylpyrrolidin-3-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 127265903
[4-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]piperazin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 129481889
phenyl-[(3R)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 100748063
phenyl-[3-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone;thiophene
CID 142015550
[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 110284785
benzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate
CID 71858020
1-(4-benzylpiperidin-1-yl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]propan-1-one
CID 45242177
3-amino-2-methyl-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119897518
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]methanone
CID 94152742
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
[(3R)-3-(benzotriazol-1-ylmethyl)pyrrolidin-1-yl]-phenylmethanone
CID 129481081
2-(oxolan-3-yl)-1-phenylethanone
CID 71757170

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [(3R)-3-[[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone (CID 124740652) is [(3R)-3-[[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3R)-3-[[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [(3R)-3-[[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CC[C@H](CN2CCN(C[C@H]3CCOC3)CC2)C1.
What is the InChIKey of [(3R)-3-[[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is UVGYGXNBLDJCBR-RTBURBONSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-21(20-4-2-1-3-5-20)24-8-6-18(16-24)14-22-9-11-23(12-10-22)15-19-7-13-26-17-19/h1-5,18-19H,6-17H2/t18-,19-/m1/s1.
What are the key properties of [(3R)-3-[[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone?
[(3R)-3-[[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 357.50 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 124740652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).