N-[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide

C21H30N2O3 — CID 3220971

IUPACN-[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESCOc1cccc(C(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)c1
InChIInChI=1S/C21H30N2O3/c1-26-19-9-5-8-17(14-19)20(24)15-23-12-10-18(11-13-23)22-21(25)16-6-3-2-4-7-16/h5,8-9,14,16,18H,2-4,6-7,10-13,15H2,1H3,(H,22,25)
InChIKeyZVFXFVPNIRGXQN-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.04
Rot. Bonds6

About N-[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide

N-[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 3220971) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is N-[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
PubChem CID3220971
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC NameN-[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESCOc1cccc(C(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)c1
InChIInChI=1S/C21H30N2O3/c1-26-19-9-5-8-17(14-19)20(24)15-23-12-10-18(11-13-23)22-21(25)16-6-3-2-4-7-16/h5,8-9,14,16,18H,2-4,6-7,10-13,15H2,1H3,(H,22,25)
InChIKeyZVFXFVPNIRGXQN-UHFFFAOYSA-N
XLogP3.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 56828695
N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35227706
N-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693267
2-(4-ethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43219308
N-[1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37473319
2-(3-hydroxypiperidin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 56829037
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
[3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate
CID 108927512
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
CID 110822113
4-[2-(3-methoxyphenyl)-2-oxoethyl]piperazine-1-carbaldehyde
CID 82121920
N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1343432

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide (CID 3220971) is N-[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide is COc1cccc(C(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)c1.
What is the InChIKey of N-[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is ZVFXFVPNIRGXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-26-19-9-5-8-17(14-19)20(24)15-23-12-10-18(11-13-23)22-21(25)16-6-3-2-4-7-16/h5,8-9,14,16,18H,2-4,6-7,10-13,15H2,1H3,(H,22,25).
What are the key properties of N-[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide?
N-[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 358.48 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 3220971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).