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

C22H32N2O4 — CID 55691105

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1OC
InChIInChI=1S/C22H32N2O4/c1-27-19-9-8-16(14-20(19)28-2)15-21(25)23-18-10-12-24(13-11-18)22(26)17-6-4-3-5-7-17/h8-9,14,17-18H,3-7,10-13,15H2,1-2H3,(H,23,25)
InChIKeyZHKDBVUFFTUHAR-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.93
Rot. Bonds6

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

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 55691105) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID55691105
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1OC
InChIInChI=1S/C22H32N2O4/c1-27-19-9-8-16(14-20(19)28-2)15-21(25)23-18-10-12-24(13-11-18)22(26)17-6-4-3-5-7-17/h8-9,14,17-18H,3-7,10-13,15H2,1-2H3,(H,23,25)
InChIKeyZHKDBVUFFTUHAR-UHFFFAOYSA-N
XLogP2.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 46454579
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide
CID 108558758
2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 108558717
(2S)-2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 7407179
2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 3227061
2-chloroethyl 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]piperidine-1-carboxylate
CID 108563121
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108558731
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
CID 108534070
2-(4-chlorophenyl)-N-[1-(cyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 110819967
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
CID 110801591

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide (CID 55691105) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1OC.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is ZHKDBVUFFTUHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-27-19-9-8-16(14-20(19)28-2)15-21(25)23-18-10-12-24(13-11-18)22(26)17-6-4-3-5-7-17/h8-9,14,17-18H,3-7,10-13,15H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 388.51 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 55691105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).