N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide

C21H29FN2O2 — CID 45208544

IUPACN-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide
SMILESO=C(NCC1CCCN(C(=O)CC2CCCCC2)C1)c1ccc(F)cc1
InChIInChI=1S/C21H29FN2O2/c22-19-10-8-18(9-11-19)21(26)23-14-17-7-4-12-24(15-17)20(25)13-16-5-2-1-3-6-16/h8-11,16-17H,1-7,12-15H2,(H,23,26)
InChIKeyVNJVTYQWFCJYGJ-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.76
Rot. Bonds5

About N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide

N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide (PubChem CID 45208544) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide
PubChem CID45208544
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC NameN-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide
SMILESO=C(NCC1CCCN(C(=O)CC2CCCCC2)C1)c1ccc(F)cc1
InChIInChI=1S/C21H29FN2O2/c22-19-10-8-18(9-11-19)21(26)23-14-17-7-4-12-24(15-17)20(25)13-16-5-2-1-3-6-16/h8-11,16-17H,1-7,12-15H2,(H,23,26)
InChIKeyVNJVTYQWFCJYGJ-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
4-fluoro-N-[[(3S)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]methyl]benzamide
CID 42210535
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
4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 25481314
4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide
CID 42592562
N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 24790363
N-[[(3R)-1-[2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetyl]piperidin-3-yl]methyl]-4-fluorobenzamide
CID 136831912
4-fluoro-N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]benzamide
CID 110903798
4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide
CID 42356810

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide (CID 45208544) is N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide is O=C(NCC1CCCN(C(=O)CC2CCCCC2)C1)c1ccc(F)cc1.
What is the InChIKey of N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide?
The InChIKey is VNJVTYQWFCJYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O2/c22-19-10-8-18(9-11-19)21(26)23-14-17-7-4-12-24(15-17)20(25)13-16-5-2-1-3-6-16/h8-11,16-17H,1-7,12-15H2,(H,23,26).
What are the key properties of N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide?
N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide has a molecular weight of 360.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 45208544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).