3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

C20H29FN2O2 — CID 17446987

IUPAC3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1F
InChIInChI=1S/C20H29FN2O2/c1-25-18-9-8-16(14-17(18)21)19(24)22-15-20(10-4-2-5-11-20)23-12-6-3-7-13-23/h8-9,14H,2-7,10-13,15H2,1H3,(H,22,24)
InChIKeyPDSQRJYJYRGHCR-UHFFFAOYSA-N
MW348.46 g/mol
LogP3.75
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (PubChem CID 17446987) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
PubChem CID17446987
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1F
InChIInChI=1S/C20H29FN2O2/c1-25-18-9-8-16(14-17(18)21)19(24)22-15-20(10-4-2-5-11-20)23-12-6-3-7-13-23/h8-9,14H,2-7,10-13,15H2,1H3,(H,22,24)
InChIKeyPDSQRJYJYRGHCR-UHFFFAOYSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028774
2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91770086
2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164326
2,3,4-trimethoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 2449625
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114758932
4-fluoro-3-methoxy-N-(2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethyl)benzamide
CID 167885147
2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide
CID 2561314
3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 35762390
3-fluoro-4-methoxy-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide
CID 146075050
4-piperidin-1-yl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide
CID 91760256
1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120538673
3-fluoro-4-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 86824610

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (CID 17446987) is 3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is COc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The InChIKey is PDSQRJYJYRGHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-25-18-9-8-16(14-17(18)21)19(24)22-15-20(10-4-2-5-11-20)23-12-6-3-7-13-23/h8-9,14H,2-7,10-13,15H2,1H3,(H,22,24).
What are the key properties of 3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide has a molecular weight of 348.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 17446987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).