N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide

C25H36FN3O3 — CID 134051350

IUPACN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
SMILESO=C(C1CCCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1)N1CCOCC1
InChIInChI=1S/C25H36FN3O3/c26-22-10-8-20(9-11-22)17-29(23-6-2-1-3-7-23)24(30)19-27-12-4-5-21(18-27)25(31)28-13-15-32-16-14-28/h8-11,21,23H,1-7,12-19H2
InChIKeyDKTXOVYLULWSHV-UHFFFAOYSA-N
MW445.58 g/mol
LogP3.06
Rot. Bonds6

About N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide

N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide (PubChem CID 134051350) has the molecular formula C25H36FN3O3 and a molecular weight of 445.58 g/mol. Its IUPAC name is N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
PubChem CID134051350
Molecular FormulaC25H36FN3O3
Molecular Weight445.58 g/mol
Exact Mass445.27
IUPAC NameN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
SMILESO=C(C1CCCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1)N1CCOCC1
InChIInChI=1S/C25H36FN3O3/c26-22-10-8-20(9-11-22)17-29(23-6-2-1-3-7-23)24(30)19-27-12-4-5-21(18-27)25(31)28-13-15-32-16-14-28/h8-11,21,23H,1-7,12-19H2
InChIKeyDKTXOVYLULWSHV-UHFFFAOYSA-N
XLogP3.06
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.58
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 134032079
[1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918722
1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909049
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 134051297
1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 55471178
2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-N-phenyl-N-prop-2-enylacetamide
CID 134051348
4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 51323129
[1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 70779312
2-(4-fluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 55743877
[1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51329356
morpholin-4-yl-[(3S)-1-(3-pyridin-4-ylpropyl)piperidin-3-yl]methanone
CID 97352804

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide (CID 134051350) is N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide is O=C(C1CCCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1)N1CCOCC1.
What is the InChIKey of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide?
The InChIKey is DKTXOVYLULWSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36FN3O3/c26-22-10-8-20(9-11-22)17-29(23-6-2-1-3-7-23)24(30)19-27-12-4-5-21(18-27)25(31)28-13-15-32-16-14-28/h8-11,21,23H,1-7,12-19H2.
What are the key properties of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide?
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide has a molecular weight of 445.58 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 134051350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).