N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide

C23H34N2O5 — CID 46454579

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H34N2O5/c1-28-19-13-16(14-20(29-2)22(19)30-3)15-21(26)24-18-9-11-25(12-10-18)23(27)17-7-5-4-6-8-17/h13-14,17-18H,4-12,15H2,1-3H3,(H,24,26)
InChIKeyFCAJWYFNSVPOLD-UHFFFAOYSA-N
MW418.53 g/mol
LogP2.94
Rot. Bonds7

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 46454579) has the molecular formula C23H34N2O5 and a molecular weight of 418.53 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID46454579
Molecular FormulaC23H34N2O5
Molecular Weight418.53 g/mol
Exact Mass418.25
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H34N2O5/c1-28-19-13-16(14-20(29-2)22(19)30-3)15-21(26)24-18-9-11-25(12-10-18)23(27)17-7-5-4-6-8-17/h13-14,17-18H,4-12,15H2,1-3H3,(H,24,26)
InChIKeyFCAJWYFNSVPOLD-UHFFFAOYSA-N
XLogP2.94
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55691105
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 108549277
pyrrolidin-1-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone
CID 6981341
oxalic acid;piperidin-1-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methanone
CID 2903448
2-(4-chlorophenyl)-N-[1-(cyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 110819967
2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide
CID 6490056
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557702
[2-(cyclopropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2365804
2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
CID 50988896
2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide
CID 108558758
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
1-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 5140911

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 46454579) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc(OC)c1OC.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is FCAJWYFNSVPOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O5/c1-28-19-13-16(14-20(29-2)22(19)30-3)15-21(26)24-18-9-11-25(12-10-18)23(27)17-7-5-4-6-8-17/h13-14,17-18H,4-12,15H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 418.53 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 46454579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).