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

C29H34N4O2 — CID 129031052

IUPAC3-[2-methyl-4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2CCC(N3CCN(c4ccc(OCc5ccccc5)cn4)CC3C)C2=O)cc1
InChIInChI=1S/C29H34N4O2/c1-22-8-10-24(11-9-22)20-32-15-14-27(29(32)34)33-17-16-31(19-23(33)2)28-13-12-26(18-30-28)35-21-25-6-4-3-5-7-25/h3-13,18,23,27H,14-17,19-21H2,1-2H3
InChIKeyHCSWIANASJWCKR-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.28
Rot. Bonds7

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

3-[2-methyl-4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 129031052) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 3-[2-methyl-4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-methyl-4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID129031052
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC Name3-[2-methyl-4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2CCC(N3CCN(c4ccc(OCc5ccccc5)cn4)CC3C)C2=O)cc1
InChIInChI=1S/C29H34N4O2/c1-22-8-10-24(11-9-22)20-32-15-14-27(29(32)34)33-17-16-31(19-23(33)2)28-13-12-26(18-30-28)35-21-25-6-4-3-5-7-25/h3-13,18,23,27H,14-17,19-21H2,1-2H3
InChIKeyHCSWIANASJWCKR-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-[2-methyl-4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (CID 129031052) is 3-[2-methyl-4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[2-methyl-4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-[2-methyl-4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is Cc1ccc(CN2CCC(N3CCN(c4ccc(OCc5ccccc5)cn4)CC3C)C2=O)cc1.
What is the InChIKey of 3-[2-methyl-4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is HCSWIANASJWCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-22-8-10-24(11-9-22)20-32-15-14-27(29(32)34)33-17-16-31(19-23(33)2)28-13-12-26(18-30-28)35-21-25-6-4-3-5-7-25/h3-13,18,23,27H,14-17,19-21H2,1-2H3.
What are the key properties of 3-[2-methyl-4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
3-[2-methyl-4-(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 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 129031052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).