2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide

C21H26N2O4 — CID 121141454

IUPAC2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCCC(OC)C3)cc2)c1OC
InChIInChI=1S/C21H26N2O4/c1-25-17-6-5-13-23(14-17)16-11-9-15(10-12-16)22-21(24)18-7-4-8-19(26-2)20(18)27-3/h4,7-12,17H,5-6,13-14H2,1-3H3,(H,22,24)
InChIKeyDUGNPTNBAJHAAJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.57
Rot. Bonds6

About 2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide

2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide (PubChem CID 121141454) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
PubChem CID121141454
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCCC(OC)C3)cc2)c1OC
InChIInChI=1S/C21H26N2O4/c1-25-17-6-5-13-23(14-17)16-11-9-15(10-12-16)22-21(24)18-7-4-8-19(26-2)20(18)27-3/h4,7-12,17H,5-6,13-14H2,1-3H3,(H,22,24)
InChIKeyDUGNPTNBAJHAAJ-UHFFFAOYSA-N
XLogP3.57
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide
CID 97427824
2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 90595303
2,3,4-trimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzamide
CID 90595853
2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269457
2-(2-methoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141457
3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide
CID 121141419
2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809546
4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141656
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide
CID 121141467
N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 121141464
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide (CID 121141454) is 2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(N3CCCC(OC)C3)cc2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide?
The InChIKey is DUGNPTNBAJHAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-25-17-6-5-13-23(14-17)16-11-9-15(10-12-16)22-21(24)18-7-4-8-19(26-2)20(18)27-3/h4,7-12,17H,5-6,13-14H2,1-3H3,(H,22,24).
What are the key properties of 2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide?
2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 121141454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).