2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide

C26H33N3O3 — CID 42751223

IUPAC2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C26H33N3O3/c1-19-12-16-28(17-13-19)23-11-10-20(18-22(23)26(31)29-14-6-3-7-15-29)27-25(30)21-8-4-5-9-24(21)32-2/h4-5,8-11,18-19H,3,6-7,12-17H2,1-2H3,(H,27,30)
InChIKeySETNOYBXOICIDI-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.81
Rot. Bonds5

About 2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide

2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 42751223) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID42751223
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C26H33N3O3/c1-19-12-16-28(17-13-19)23-11-10-20(18-22(23)26(31)29-14-6-3-7-15-29)27-25(30)21-8-4-5-9-24(21)32-2/h4-5,8-11,18-19H,3,6-7,12-17H2,1-2H3,(H,27,30)
InChIKeySETNOYBXOICIDI-UHFFFAOYSA-N
XLogP4.81
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066472
2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 1063866
2,6-dimethoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066476
2-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 42752888
2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066450
N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide
CID 1066165
2,4-dimethoxy-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42755598
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 1064562
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066436
4-chloro-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 4018717
N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 42751211
2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1063788

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide (CID 42751223) is 2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide is COc1ccccc1C(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)N2CCCCC2)c1.
What is the InChIKey of 2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is SETNOYBXOICIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-19-12-16-28(17-13-19)23-11-10-20(18-22(23)26(31)29-14-6-3-7-15-29)27-25(30)21-8-4-5-9-24(21)32-2/h4-5,8-11,18-19H,3,6-7,12-17H2,1-2H3,(H,27,30).
What are the key properties of 2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide?
2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 435.57 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 42751223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).