(3R)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one

C23H29N5O2 — CID 42382054

IUPAC(3R)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one
SMILESO=C1NCCN(CCc2ccccc2)[C@@H]1CC(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C23H29N5O2/c29-22(28-16-14-26(15-17-28)20-6-9-24-10-7-20)18-21-23(30)25-11-13-27(21)12-8-19-4-2-1-3-5-19/h1-7,9-10,21H,8,11-18H2,(H,25,30)/t21-/m1/s1
InChIKeyDRZLYVPCPNXVMF-OAQYLSRUSA-N
MW407.52 g/mol
LogP1.16
Rot. Bonds6

About (3R)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one

(3R)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one (PubChem CID 42382054) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is (3R)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one
PubChem CID42382054
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name(3R)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one
SMILESO=C1NCCN(CCc2ccccc2)[C@@H]1CC(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C23H29N5O2/c29-22(28-16-14-26(15-17-28)20-6-9-24-10-7-20)18-21-23(30)25-11-13-27(21)12-8-19-4-2-1-3-5-19/h1-7,9-10,21H,8,11-18H2,(H,25,30)/t21-/m1/s1
InChIKeyDRZLYVPCPNXVMF-OAQYLSRUSA-N
XLogP1.16
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one with MolForge

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Related Compounds

3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one
CID 45224864
3-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-4-(2-phenylethyl)piperazin-2-one
CID 45175683
N-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 45197561
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
3-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one
CID 45167725
(3R)-4-(benzenesulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
CID 40933027
N-cyclopentyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 45180827
(3R)-4-(4-bromobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
CID 41384843
4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 50968053
N-(2-methylbutan-2-yl)-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 56915595
(3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 26333955
N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 95717455

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one?
The IUPAC name of (3R)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one (CID 42382054) is (3R)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one.
What is the SMILES notation for (3R)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one?
The canonical SMILES for (3R)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one is O=C1NCCN(CCc2ccccc2)[C@@H]1CC(=O)N1CCN(c2ccncc2)CC1.
What is the InChIKey of (3R)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one?
The InChIKey is DRZLYVPCPNXVMF-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29N5O2/c29-22(28-16-14-26(15-17-28)20-6-9-24-10-7-20)18-21-23(30)25-11-13-27(21)12-8-19-4-2-1-3-5-19/h1-7,9-10,21H,8,11-18H2,(H,25,30)/t21-/m1/s1.
What are the key properties of (3R)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one?
(3R)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one has a molecular weight of 407.52 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one is sourced from PubChem (CID 42382054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).