3-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide

C20H25FN2OS — CID 49215262

IUPAC3-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NCC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C20H25FN2OS/c21-18-8-5-16(6-9-18)7-10-20(24)22-13-17-3-1-11-23(14-17)15-19-4-2-12-25-19/h2,4-6,8-9,12,17H,1,3,7,10-11,13-15H2,(H,22,24)
InChIKeyMPCZNWDYANCTMV-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.85
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide

3-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide (PubChem CID 49215262) has the molecular formula C20H25FN2OS and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide
PubChem CID49215262
Molecular FormulaC20H25FN2OS
Molecular Weight360.50 g/mol
Exact Mass360.17
IUPAC Name3-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NCC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C20H25FN2OS/c21-18-8-5-16(6-9-18)7-10-20(24)22-13-17-3-1-11-23(14-17)15-19-4-2-12-25-19/h2,4-6,8-9,12,17H,1,3,7,10-11,13-15H2,(H,22,24)
InChIKeyMPCZNWDYANCTMV-UHFFFAOYSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 120612729
4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]butanamide;dihydrochloride
CID 119865360
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865348
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 94819206
N-methyl-N-[2-oxo-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]ethyl]benzamide
CID 49214789
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 49215225
1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 49280156
1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide
CID 49214275
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 124581557
2-[methyl-[(3S)-thiolan-3-yl]amino]-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 98794620
(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide
CID 95318380

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide (CID 49215262) is 3-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide is O=C(CCc1ccc(F)cc1)NCC1CCCN(Cc2cccs2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide?
The InChIKey is MPCZNWDYANCTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2OS/c21-18-8-5-16(6-9-18)7-10-20(24)22-13-17-3-1-11-23(14-17)15-19-4-2-12-25-19/h2,4-6,8-9,12,17H,1,3,7,10-11,13-15H2,(H,22,24).
What are the key properties of 3-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide?
3-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide has a molecular weight of 360.50 g/mol, XLogP of 3.85, 7 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-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide is sourced from PubChem (CID 49215262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).