(3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

C29H34N4O2 — CID 129030897

IUPAC(3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2CC[C@@H](N3CCN(c4ncc(OCc5ccccc5)cc4C)CC3)C2=O)cc1
InChIInChI=1S/C29H34N4O2/c1-22-8-10-24(11-9-22)20-33-13-12-27(29(33)34)31-14-16-32(17-15-31)28-23(2)18-26(19-30-28)35-21-25-6-4-3-5-7-25/h3-11,18-19,27H,12-17,20-21H2,1-2H3/t27-/m1/s1
InChIKeyPIKZDYFAHZYYOR-HHHXNRCGSA-N
MW470.62 g/mol
LogP4.20
Rot. Bonds7

About (3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

(3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 129030897) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is (3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID129030897
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC Name(3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2CC[C@@H](N3CCN(c4ncc(OCc5ccccc5)cc4C)CC3)C2=O)cc1
InChIInChI=1S/C29H34N4O2/c1-22-8-10-24(11-9-22)20-33-13-12-27(29(33)34)31-14-16-32(17-15-31)28-23(2)18-26(19-30-28)35-21-25-6-4-3-5-7-25/h3-11,18-19,27H,12-17,20-21H2,1-2H3/t27-/m1/s1
InChIKeyPIKZDYFAHZYYOR-HHHXNRCGSA-N
XLogP4.20
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (CID 129030897) is (3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is Cc1ccc(CN2CC[C@@H](N3CCN(c4ncc(OCc5ccccc5)cc4C)CC3)C2=O)cc1.
What is the InChIKey of (3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is PIKZDYFAHZYYOR-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-22-8-10-24(11-9-22)20-33-13-12-27(29(33)34)31-14-16-32(17-15-31)28-23(2)18-26(19-30-28)35-21-25-6-4-3-5-7-25/h3-11,18-19,27H,12-17,20-21H2,1-2H3/t27-/m1/s1.
What are the key properties of (3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
(3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 470.62 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 129030897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).