3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide

C21H24FN3O2 — CID 108924798

IUPAC3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C21H24FN3O2/c22-19-6-3-16(4-7-19)5-8-20(26)24-14-17-9-12-25(13-10-17)21(27)18-2-1-11-23-15-18/h1-4,6-7,11,15,17H,5,8-10,12-14H2,(H,24,26)
InChIKeyZJFANFSCHFGBSN-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.82
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide

3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide (PubChem CID 108924798) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
PubChem CID108924798
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C21H24FN3O2/c22-19-6-3-16(4-7-19)5-8-20(26)24-14-17-9-12-25(13-10-17)21(27)18-2-1-11-23-15-18/h1-4,6-7,11,15,17H,5,8-10,12-14H2,(H,24,26)
InChIKeyZJFANFSCHFGBSN-UHFFFAOYSA-N
XLogP2.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 108924769
3-methoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924717
3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 90521330
2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521437
3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924693
2-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521344
3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
CID 90521307
2-benzylsulfanyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 71786523
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110411687
2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 108924733
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 90521311
N'-(2,5-difluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520998

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide (CID 108924798) is 3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide is O=C(CCc1ccc(F)cc1)NCC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is ZJFANFSCHFGBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-19-6-3-16(4-7-19)5-8-20(26)24-14-17-9-12-25(13-10-17)21(27)18-2-1-11-23-15-18/h1-4,6-7,11,15,17H,5,8-10,12-14H2,(H,24,26).
What are the key properties of 3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide?
3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 369.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 108924798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).