3,4-diethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide

C22H29N3O3 — CID 121108808

IUPAC3,4-diethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCC
InChIInChI=1S/C22H29N3O3/c1-3-27-20-6-5-18(15-21(20)28-4-2)22(26)24-16-17-9-13-25(14-10-17)19-7-11-23-12-8-19/h5-8,11-12,15,17H,3-4,9-10,13-14,16H2,1-2H3,(H,24,26)
InChIKeyFUWVAWPSLXISBB-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.53
Rot. Bonds8

About 3,4-diethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide

3,4-diethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 121108808) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3,4-diethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
PubChem CID121108808
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3,4-diethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCC
InChIInChI=1S/C22H29N3O3/c1-3-27-20-6-5-18(15-21(20)28-4-2)22(26)24-16-17-9-13-25(14-10-17)19-7-11-23-12-8-19/h5-8,11-12,15,17H,3-4,9-10,13-14,16H2,1-2H3,(H,24,26)
InChIKeyFUWVAWPSLXISBB-UHFFFAOYSA-N
XLogP3.53
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]-4-propoxybenzamide
CID 46441486
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
4-chloro-3-[2-(4-methylphenyl)ethoxy]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 23396288
4-ethyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 136520406
4-bromo-3-[2-(2,4-dichlorophenyl)ethoxy]-5-ethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 22052336
3-cyano-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108732
butyl 2-[4-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoyl]phenoxy]acetate
CID 18918357
4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzamide
CID 23396295
N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263499
3-[2-(3-chlorophenyl)ethoxy]-4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 23396254
2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119179211
3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918987

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide (CID 121108808) is 3,4-diethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide is CCOc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is FUWVAWPSLXISBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-3-27-20-6-5-18(15-21(20)28-4-2)22(26)24-16-17-9-13-25(14-10-17)19-7-11-23-12-8-19/h5-8,11-12,15,17H,3-4,9-10,13-14,16H2,1-2H3,(H,24,26).
What are the key properties of 3,4-diethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
3,4-diethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 383.49 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 121108808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).