3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

C20H30N2O2 — CID 2462542

IUPAC3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESCOc1cccc(C(=O)NCC2(N3CCCCC3)CCCCC2)c1
InChIInChI=1S/C20H30N2O2/c1-24-18-10-8-9-17(15-18)19(23)21-16-20(11-4-2-5-12-20)22-13-6-3-7-14-22/h8-10,15H,2-7,11-14,16H2,1H3,(H,21,23)
InChIKeyRRHNINYVVGCMPG-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.61
Rot. Bonds5

About 3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (PubChem CID 2462542) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
PubChem CID2462542
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESCOc1cccc(C(=O)NCC2(N3CCCCC3)CCCCC2)c1
InChIInChI=1S/C20H30N2O2/c1-24-18-10-8-9-17(15-18)19(23)21-16-20(11-4-2-5-12-20)22-13-6-3-7-14-22/h8-10,15H,2-7,11-14,16H2,1H3,(H,21,23)
InChIKeyRRHNINYVVGCMPG-UHFFFAOYSA-N
XLogP3.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (CID 2462542) is 3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is COc1cccc(C(=O)NCC2(N3CCCCC3)CCCCC2)c1.
What is the InChIKey of 3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The InChIKey is RRHNINYVVGCMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-24-18-10-8-9-17(15-18)19(23)21-16-20(11-4-2-5-12-20)22-13-6-3-7-14-22/h8-10,15H,2-7,11-14,16H2,1H3,(H,21,23).
What are the key properties of 3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide has a molecular weight of 330.47 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 2462542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).