3-[(3S)-1-(6-aminopyridine-2-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide

C21H25FN4O2 — CID 97275855

IUPAC3-[(3S)-1-(6-aminopyridine-2-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
SMILESNc1cccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)n1
InChIInChI=1S/C21H25FN4O2/c22-17-7-2-1-6-16(17)13-24-20(27)11-10-15-5-4-12-26(14-15)21(28)18-8-3-9-19(23)25-18/h1-3,6-9,15H,4-5,10-14H2,(H2,23,25)(H,24,27)/t15-/m0/s1
InChIKeyGNUVNWIMERJCEE-HNNXBMFYSA-N
MW384.46 g/mol
LogP2.75
Rot. Bonds6

About 3-[(3S)-1-(6-aminopyridine-2-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide

3-[(3S)-1-(6-aminopyridine-2-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 97275855) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-[(3S)-1-(6-aminopyridine-2-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(3S)-1-(6-aminopyridine-2-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID97275855
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name3-[(3S)-1-(6-aminopyridine-2-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
SMILESNc1cccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)n1
InChIInChI=1S/C21H25FN4O2/c22-17-7-2-1-6-16(17)13-24-20(27)11-10-15-5-4-12-26(14-15)21(28)18-8-3-9-19(23)25-18/h1-3,6-9,15H,4-5,10-14H2,(H2,23,25)(H,24,27)/t15-/m0/s1
InChIKeyGNUVNWIMERJCEE-HNNXBMFYSA-N
XLogP2.75
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 45186260
3-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 24791743
N-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide
CID 45228960
ethyl 3-[[(3R)-3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]piperidine-1-carbonyl]amino]propanoate
CID 25457189
N-[(2-fluorophenyl)methyl]-3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide
CID 45197616
N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide
CID 25452182
N-[(2-fluorophenyl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide
CID 45228791
ethyl 4-[(3R)-3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]piperidin-1-yl]piperidine-1-carboxylate
CID 26393783
N-[(2-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094778
N-[(2-fluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide
CID 42566664
3-[(3R)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124702022
N-[(2-fluorophenyl)methyl]-3-[(3S)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]propanamide
CID 42403686

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(6-aminopyridine-2-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[(3S)-1-(6-aminopyridine-2-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide (CID 97275855) is 3-[(3S)-1-(6-aminopyridine-2-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[(3S)-1-(6-aminopyridine-2-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[(3S)-1-(6-aminopyridine-2-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide is Nc1cccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)n1.
What is the InChIKey of 3-[(3S)-1-(6-aminopyridine-2-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is GNUVNWIMERJCEE-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c22-17-7-2-1-6-16(17)13-24-20(27)11-10-15-5-4-12-26(14-15)21(28)18-8-3-9-19(23)25-18/h1-3,6-9,15H,4-5,10-14H2,(H2,23,25)(H,24,27)/t15-/m0/s1.
What are the key properties of 3-[(3S)-1-(6-aminopyridine-2-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide?
3-[(3S)-1-(6-aminopyridine-2-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 384.46 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(6-aminopyridine-2-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 97275855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).