(3R)-4-[(2,3-difluorophenyl)methyl]-3-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one

C23H32F2N4O3 — CID 42210083

IUPAC(3R)-4-[(2,3-difluorophenyl)methyl]-3-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESO=C1NCCN(Cc2cccc(F)c2F)[C@@H]1CC(=O)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C23H32F2N4O3/c24-19-3-1-2-16(22(19)25)15-29-13-8-26-23(32)20(29)14-21(31)28-9-4-17(5-10-28)27-11-6-18(30)7-12-27/h1-3,17-18,20,30H,4-15H2,(H,26,32)/t20-/m1/s1
InChIKeyWKLVEIRGBDNSET-HXUWFJFHSA-N
MW450.53 g/mol
LogP1.10
Rot. Bonds5

About (3R)-4-[(2,3-difluorophenyl)methyl]-3-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one

(3R)-4-[(2,3-difluorophenyl)methyl]-3-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one (PubChem CID 42210083) has the molecular formula C23H32F2N4O3 and a molecular weight of 450.53 g/mol. Its IUPAC name is (3R)-4-[(2,3-difluorophenyl)methyl]-3-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[(2,3-difluorophenyl)methyl]-3-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
PubChem CID42210083
Molecular FormulaC23H32F2N4O3
Molecular Weight450.53 g/mol
Exact Mass450.24
IUPAC Name(3R)-4-[(2,3-difluorophenyl)methyl]-3-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESO=C1NCCN(Cc2cccc(F)c2F)[C@@H]1CC(=O)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C23H32F2N4O3/c24-19-3-1-2-16(22(19)25)15-29-13-8-26-23(32)20(29)14-21(31)28-9-4-17(5-10-28)27-11-6-18(30)7-12-27/h1-3,17-18,20,30H,4-15H2,(H,26,32)/t20-/m1/s1
InChIKeyWKLVEIRGBDNSET-HXUWFJFHSA-N
XLogP1.10
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 56911735
(3S)-4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95726510
N-cyclobutyl-2-[(2S)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95713622
N-cyclopentyl-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45246216
N-(2-amino-2-oxoethyl)-2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95723179
(3R)-4-[(2-fluorophenyl)methyl]-3-[2-[4-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 42595229
(3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95708042
N-(3-cyclopentylpropyl)-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24819391
4-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 45201951
N-[2-(diethylamino)ethyl]-2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 51901313
(3S)-4-[(2-chloro-4-fluorophenyl)methyl]-3-[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]piperazin-2-one
CID 42118664
3-[2-(azocan-1-yl)-2-oxoethyl]-4-[(3-fluorophenyl)methyl]piperazin-2-one
CID 45243475

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(2,3-difluorophenyl)methyl]-3-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
The IUPAC name of (3R)-4-[(2,3-difluorophenyl)methyl]-3-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one (CID 42210083) is (3R)-4-[(2,3-difluorophenyl)methyl]-3-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for (3R)-4-[(2,3-difluorophenyl)methyl]-3-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
The canonical SMILES for (3R)-4-[(2,3-difluorophenyl)methyl]-3-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one is O=C1NCCN(Cc2cccc(F)c2F)[C@@H]1CC(=O)N1CCC(N2CCC(O)CC2)CC1.
What is the InChIKey of (3R)-4-[(2,3-difluorophenyl)methyl]-3-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
The InChIKey is WKLVEIRGBDNSET-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H32F2N4O3/c24-19-3-1-2-16(22(19)25)15-29-13-8-26-23(32)20(29)14-21(31)28-9-4-17(5-10-28)27-11-6-18(30)7-12-27/h1-3,17-18,20,30H,4-15H2,(H,26,32)/t20-/m1/s1.
What are the key properties of (3R)-4-[(2,3-difluorophenyl)methyl]-3-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
(3R)-4-[(2,3-difluorophenyl)methyl]-3-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one has a molecular weight of 450.53 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(2,3-difluorophenyl)methyl]-3-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 42210083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).