4-fluoro-N-[[(3S)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]methyl]benzamide

C20H26FN3O3 — CID 42210535

IUPAC4-fluoro-N-[[(3S)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCN(C(=O)CN2CCCCC2=O)C1)c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O3/c21-17-8-6-16(7-9-17)20(27)22-12-15-4-3-11-23(13-15)19(26)14-24-10-2-1-5-18(24)25/h6-9,15H,1-5,10-14H2,(H,22,27)/t15-/m0/s1
InChIKeyZPBGRFCUCUEGEE-HNNXBMFYSA-N
MW375.44 g/mol
LogP1.81
Rot. Bonds5

About 4-fluoro-N-[[(3S)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]methyl]benzamide

4-fluoro-N-[[(3S)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]methyl]benzamide (PubChem CID 42210535) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is 4-fluoro-N-[[(3S)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[(3S)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]methyl]benzamide
PubChem CID42210535
Molecular FormulaC20H26FN3O3
Molecular Weight375.44 g/mol
Exact Mass375.20
IUPAC Name4-fluoro-N-[[(3S)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCN(C(=O)CN2CCCCC2=O)C1)c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O3/c21-17-8-6-16(7-9-17)20(27)22-12-15-4-3-11-23(13-15)19(26)14-24-10-2-1-5-18(24)25/h6-9,15H,1-5,10-14H2,(H,22,27)/t15-/m0/s1
InChIKeyZPBGRFCUCUEGEE-HNNXBMFYSA-N
XLogP1.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 45208544
N-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 26323586
4-fluoro-N-[[(3R)-1-pent-4-enoylpiperidin-3-yl]methyl]benzamide
CID 25479373
4-fluoro-N-[[(3S)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]methyl]benzamide
CID 42286302
1-[2-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 26327850
methyl 4-[(3R)-3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 42157752
methyl 4-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 24817518
1-[2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 70712117
N-[[(3R)-1-[2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetyl]piperidin-3-yl]methyl]-4-fluorobenzamide
CID 136831912
4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide
CID 42356810
1-[2-[(3S,4R)-3-amino-4-(4-fluorophenyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 125144801
N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 24790363

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(3S)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[(3S)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]methyl]benzamide (CID 42210535) is 4-fluoro-N-[[(3S)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[(3S)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[(3S)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]methyl]benzamide is O=C(NC[C@@H]1CCCN(C(=O)CN2CCCCC2=O)C1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[(3S)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]methyl]benzamide?
The InChIKey is ZPBGRFCUCUEGEE-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26FN3O3/c21-17-8-6-16(7-9-17)20(27)22-12-15-4-3-11-23(13-15)19(26)14-24-10-2-1-5-18(24)25/h6-9,15H,1-5,10-14H2,(H,22,27)/t15-/m0/s1.
What are the key properties of 4-fluoro-N-[[(3S)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]methyl]benzamide?
4-fluoro-N-[[(3S)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]methyl]benzamide has a molecular weight of 375.44 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(3S)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 42210535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).