(3R)-4-[(2-fluorophenyl)methyl]-3-[2-[4-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one

C22H32FN3O3 — CID 42595229

IUPAC(3R)-4-[(2-fluorophenyl)methyl]-3-[2-[4-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESCOCCCC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2F)CC1
InChIInChI=1S/C22H32FN3O3/c1-29-14-4-5-17-8-11-25(12-9-17)21(27)15-20-22(28)24-10-13-26(20)16-18-6-2-3-7-19(18)23/h2-3,6-7,17,20H,4-5,8-16H2,1H3,(H,24,28)/t20-/m1/s1
InChIKeyMQOSYOGFVVXYOO-HXUWFJFHSA-N
MW405.51 g/mol
LogP2.18
Rot. Bonds8

About (3R)-4-[(2-fluorophenyl)methyl]-3-[2-[4-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one

(3R)-4-[(2-fluorophenyl)methyl]-3-[2-[4-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one (PubChem CID 42595229) has the molecular formula C22H32FN3O3 and a molecular weight of 405.51 g/mol. Its IUPAC name is (3R)-4-[(2-fluorophenyl)methyl]-3-[2-[4-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[(2-fluorophenyl)methyl]-3-[2-[4-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
PubChem CID42595229
Molecular FormulaC22H32FN3O3
Molecular Weight405.51 g/mol
Exact Mass405.24
IUPAC Name(3R)-4-[(2-fluorophenyl)methyl]-3-[2-[4-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESCOCCCC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2F)CC1
InChIInChI=1S/C22H32FN3O3/c1-29-14-4-5-17-8-11-25(12-9-17)21(27)15-20-22(28)24-10-13-26(20)16-18-6-2-3-7-19(18)23/h2-3,6-7,17,20H,4-5,8-16H2,1H3,(H,24,28)/t20-/m1/s1
InChIKeyMQOSYOGFVVXYOO-HXUWFJFHSA-N
XLogP2.18
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-4-[(2-fluorophenyl)methyl]-3-[2-[4-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one with MolForge

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Related Compounds

2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methylacetamide
CID 45188958
ethyl 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 2997439
4-[(2-fluoro-4-methoxyphenyl)methyl]-3-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 45252575
(3R)-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 51909890
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
4-[(2-fluoro-4-methoxyphenyl)methyl]-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]piperazin-2-one
CID 45172701
2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
CID 24817386
4-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 45201951
methyl 2-[[2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetyl]-methylamino]acetate
CID 45242481
(3R)-4-[(2,3-difluorophenyl)methyl]-3-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 42210083
2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 45198435

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(2-fluorophenyl)methyl]-3-[2-[4-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
The IUPAC name of (3R)-4-[(2-fluorophenyl)methyl]-3-[2-[4-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one (CID 42595229) is (3R)-4-[(2-fluorophenyl)methyl]-3-[2-[4-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for (3R)-4-[(2-fluorophenyl)methyl]-3-[2-[4-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
The canonical SMILES for (3R)-4-[(2-fluorophenyl)methyl]-3-[2-[4-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one is COCCCC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2F)CC1.
What is the InChIKey of (3R)-4-[(2-fluorophenyl)methyl]-3-[2-[4-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
The InChIKey is MQOSYOGFVVXYOO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H32FN3O3/c1-29-14-4-5-17-8-11-25(12-9-17)21(27)15-20-22(28)24-10-13-26(20)16-18-6-2-3-7-19(18)23/h2-3,6-7,17,20H,4-5,8-16H2,1H3,(H,24,28)/t20-/m1/s1.
What are the key properties of (3R)-4-[(2-fluorophenyl)methyl]-3-[2-[4-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
(3R)-4-[(2-fluorophenyl)methyl]-3-[2-[4-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one has a molecular weight of 405.51 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(2-fluorophenyl)methyl]-3-[2-[4-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 42595229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).