2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide

C24H29FN2O3 — CID 124950616

IUPAC2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide
SMILESCC[C@H](C(=O)N1CCC(COc2ccc(F)cc2)(CC(N)=O)CC1)c1ccccc1
InChIInChI=1S/C24H29FN2O3/c1-2-21(18-6-4-3-5-7-18)23(29)27-14-12-24(13-15-27,16-22(26)28)17-30-20-10-8-19(25)9-11-20/h3-11,21H,2,12-17H2,1H3,(H2,26,28)/t21-/m0/s1
InChIKeyDCYFARVPJBBUGW-NRFANRHFSA-N
MW412.51 g/mol
LogP3.88
Rot. Bonds8

About 2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide

2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide (PubChem CID 124950616) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide
PubChem CID124950616
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC Name2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide
SMILESCC[C@H](C(=O)N1CCC(COc2ccc(F)cc2)(CC(N)=O)CC1)c1ccccc1
InChIInChI=1S/C24H29FN2O3/c1-2-21(18-6-4-3-5-7-18)23(29)27-14-12-24(13-15-27,16-22(26)28)17-30-20-10-8-19(25)9-11-20/h3-11,21H,2,12-17H2,1H3,(H2,26,28)/t21-/m0/s1
InChIKeyDCYFARVPJBBUGW-NRFANRHFSA-N
XLogP3.88
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(4-chloro-3-methylphenoxy)methyl]-1-(2-phenylbutanoyl)piperidin-4-yl]acetamide
CID 110080780
(2R)-1-[4-(2-oxo-2-piperidin-1-ylethyl)-4-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one
CID 124962429
(2R)-1-[(3R)-3-[(4-fluorophenoxy)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]-2-phenylbutan-1-one
CID 125015134
4-methyl-1-(2-phenylbutanoyl)piperidine-4-carbothioamide
CID 107161116
(2S)-1-[(3S)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one
CID 124966274
2-[1-(4-ethylbenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080380
2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]acetamide
CID 124955846
2-[1-(2,6-dichlorobenzoyl)-4-(phenoxymethyl)piperidin-4-yl]acetamide
CID 155990334
2-[4-[(4-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 110080012
(2R)-1-[(3S)-3-(2-morpholin-4-yl-2-oxoethyl)-3-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one
CID 125010579
(2R)-1-[(3R)-3-(2-morpholin-4-yl-2-oxoethyl)-3-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one
CID 125010577
2-[3-[(4-fluorophenoxy)methyl]-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]acetamide
CID 110080337

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide (CID 124950616) is 2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide is CC[C@H](C(=O)N1CCC(COc2ccc(F)cc2)(CC(N)=O)CC1)c1ccccc1.
What is the InChIKey of 2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide?
The InChIKey is DCYFARVPJBBUGW-NRFANRHFSA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-2-21(18-6-4-3-5-7-18)23(29)27-14-12-24(13-15-27,16-22(26)28)17-30-20-10-8-19(25)9-11-20/h3-11,21H,2,12-17H2,1H3,(H2,26,28)/t21-/m0/s1.
What are the key properties of 2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide?
2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide has a molecular weight of 412.51 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 124950616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).