N-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide

C22H31FN2O2 — CID 26323586

IUPACN-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
SMILESO=C(NC[C@H]1CCCN(C(=O)CCC2CCCCC2)C1)c1ccc(F)cc1
InChIInChI=1S/C22H31FN2O2/c23-20-11-9-19(10-12-20)22(27)24-15-18-7-4-14-25(16-18)21(26)13-8-17-5-2-1-3-6-17/h9-12,17-18H,1-8,13-16H2,(H,24,27)/t18-/m1/s1
InChIKeyCQJKZJZZYDZECV-GOSISDBHSA-N
MW374.50 g/mol
LogP4.15
Rot. Bonds6

About N-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide

N-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide (PubChem CID 26323586) has the molecular formula C22H31FN2O2 and a molecular weight of 374.50 g/mol. Its IUPAC name is N-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
PubChem CID26323586
Molecular FormulaC22H31FN2O2
Molecular Weight374.50 g/mol
Exact Mass374.24
IUPAC NameN-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
SMILESO=C(NC[C@H]1CCCN(C(=O)CCC2CCCCC2)C1)c1ccc(F)cc1
InChIInChI=1S/C22H31FN2O2/c23-20-11-9-19(10-12-20)22(27)24-15-18-7-4-14-25(16-18)21(26)13-8-17-5-2-1-3-6-17/h9-12,17-18H,1-8,13-16H2,(H,24,27)/t18-/m1/s1
InChIKeyCQJKZJZZYDZECV-GOSISDBHSA-N
XLogP4.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 45208544
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
4-fluoro-N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]benzamide
CID 110903798
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-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide
CID 42356810
N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 24790363
4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide
CID 42592562
N-[[(3R)-1-[2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetyl]piperidin-3-yl]methyl]-4-fluorobenzamide
CID 136831912
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide (CID 26323586) is N-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide is O=C(NC[C@H]1CCCN(C(=O)CCC2CCCCC2)C1)c1ccc(F)cc1.
What is the InChIKey of N-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide?
The InChIKey is CQJKZJZZYDZECV-GOSISDBHSA-N. The full InChI is InChI=1S/C22H31FN2O2/c23-20-11-9-19(10-12-20)22(27)24-15-18-7-4-14-25(16-18)21(26)13-8-17-5-2-1-3-6-17/h9-12,17-18H,1-8,13-16H2,(H,24,27)/t18-/m1/s1.
What are the key properties of N-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide?
N-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide has a molecular weight of 374.50 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 26323586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).