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

C25H32N4O2 — CID 45167725

IUPAC3-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one
SMILESO=C1NCCN(Cc2cccnc2)C1CC(=O)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C25H32N4O2/c30-24(28-14-10-21(11-15-28)9-8-20-5-2-1-3-6-20)17-23-25(31)27-13-16-29(23)19-22-7-4-12-26-18-22/h1-7,12,18,21,23H,8-11,13-17,19H2,(H,27,31)
InChIKeyHAKOJBWTYBEMFE-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.64
Rot. Bonds7

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

3-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one (PubChem CID 45167725) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one
PubChem CID45167725
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name3-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one
SMILESO=C1NCCN(Cc2cccnc2)C1CC(=O)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C25H32N4O2/c30-24(28-14-10-21(11-15-28)9-8-20-5-2-1-3-6-20)17-23-25(31)27-13-16-29(23)19-22-7-4-12-26-18-22/h1-7,12,18,21,23H,8-11,13-17,19H2,(H,27,31)
InChIKeyHAKOJBWTYBEMFE-UHFFFAOYSA-N
XLogP2.64
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-4-(2-phenylethyl)piperazin-2-one
CID 45175683
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 45206372
2-[(2S)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide
CID 25275532
ethyl 4-[[2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]acetyl]amino]piperidine-1-carboxylate
CID 45207560
3-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one
CID 45228410
4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 50968053
(3R)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one
CID 42382054
(3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 26333955
4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-2-one
CID 45210614
3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]-2-oxoethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one
CID 45238418
(3R)-3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]-2-oxoethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one
CID 42198448

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one?
The IUPAC name of 3-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one (CID 45167725) is 3-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one.
What is the SMILES notation for 3-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one?
The canonical SMILES for 3-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one is O=C1NCCN(Cc2cccnc2)C1CC(=O)N1CCC(CCc2ccccc2)CC1.
What is the InChIKey of 3-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one?
The InChIKey is HAKOJBWTYBEMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c30-24(28-14-10-21(11-15-28)9-8-20-5-2-1-3-6-20)17-23-25(31)27-13-16-29(23)19-22-7-4-12-26-18-22/h1-7,12,18,21,23H,8-11,13-17,19H2,(H,27,31).
What are the key properties of 3-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one?
3-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one has a molecular weight of 420.56 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one is sourced from PubChem (CID 45167725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).