N-cyclohexyl-1-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide

C28H37N3O3 — CID 72705225

IUPACN-cyclohexyl-1-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
SMILESCOc1ccccc1CC(=O)Nc1cccc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1
InChIInChI=1S/C28H37N3O3/c1-34-26-13-6-5-9-23(26)19-27(32)29-25-12-7-8-21(18-25)20-31-16-14-22(15-17-31)28(33)30-24-10-3-2-4-11-24/h5-9,12-13,18,22,24H,2-4,10-11,14-17,19-20H2,1H3,(H,29,32)(H,30,33)
InChIKeyRICFPYPDGDXXBB-UHFFFAOYSA-N
MW463.62 g/mol
LogP4.54
Rot. Bonds8

About N-cyclohexyl-1-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide

N-cyclohexyl-1-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 72705225) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is N-cyclohexyl-1-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
PubChem CID72705225
Molecular FormulaC28H37N3O3
Molecular Weight463.62 g/mol
Exact Mass463.28
IUPAC NameN-cyclohexyl-1-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
SMILESCOc1ccccc1CC(=O)Nc1cccc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1
InChIInChI=1S/C28H37N3O3/c1-34-26-13-6-5-9-23(26)19-27(32)29-25-12-7-8-21(18-25)20-31-16-14-22(15-17-31)28(33)30-24-10-3-2-4-11-24/h5-9,12-13,18,22,24H,2-4,10-11,14-17,19-20H2,1H3,(H,29,32)(H,30,33)
InChIKeyRICFPYPDGDXXBB-UHFFFAOYSA-N
XLogP4.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methoxypyridine-3-carboxamide
CID 72704841
1-[(2-methoxyphenyl)methyl]-N-(oxan-3-yl)piperidine-4-carboxamide
CID 46963470
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 118521906
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide
CID 118521845
4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146102
2-(2-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39695127
N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1343432
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 18121021
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 16589762
N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 30137317
1-[[3-[(2-pyridin-2-ylacetyl)amino]phenyl]methyl]piperidine-4-carboxylic acid
CID 118521870

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide (CID 72705225) is N-cyclohexyl-1-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide is COc1ccccc1CC(=O)Nc1cccc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1.
What is the InChIKey of N-cyclohexyl-1-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is RICFPYPDGDXXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3/c1-34-26-13-6-5-9-23(26)19-27(32)29-25-12-7-8-21(18-25)20-31-16-14-22(15-17-31)28(33)30-24-10-3-2-4-11-24/h5-9,12-13,18,22,24H,2-4,10-11,14-17,19-20H2,1H3,(H,29,32)(H,30,33).
What are the key properties of N-cyclohexyl-1-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide?
N-cyclohexyl-1-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 463.62 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 72705225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).