3-ethoxy-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-(pyridin-4-ylmethoxy)benzamide

C28H33N3O3 — CID 55840543

IUPAC3-ethoxy-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(CN3CCCC(C)C3)cc2)ccc1OCc1ccncc1
InChIInChI=1S/C28H33N3O3/c1-3-33-27-17-24(8-11-26(27)34-20-23-12-14-29-15-13-23)28(32)30-25-9-6-22(7-10-25)19-31-16-4-5-21(2)18-31/h6-15,17,21H,3-5,16,18-20H2,1-2H3,(H,30,32)
InChIKeyJRAGDLDOQMKOOW-UHFFFAOYSA-N
MW459.59 g/mol
LogP5.54
Rot. Bonds9

About 3-ethoxy-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-(pyridin-4-ylmethoxy)benzamide

3-ethoxy-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-(pyridin-4-ylmethoxy)benzamide (PubChem CID 55840543) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is 3-ethoxy-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-(pyridin-4-ylmethoxy)benzamide
PubChem CID55840543
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC Name3-ethoxy-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(CN3CCCC(C)C3)cc2)ccc1OCc1ccncc1
InChIInChI=1S/C28H33N3O3/c1-3-33-27-17-24(8-11-26(27)34-20-23-12-14-29-15-13-23)28(32)30-25-9-6-22(7-10-25)19-31-16-4-5-21(2)18-31/h6-15,17,21H,3-5,16,18-20H2,1-2H3,(H,30,32)
InChIKeyJRAGDLDOQMKOOW-UHFFFAOYSA-N
XLogP5.54
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 55558162
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 30838786
3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 55729046
2-imidazol-1-yl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide
CID 87045978
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283469
3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 55840971
N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99953059
N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490429
3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119845030
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92683111
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]methanone
CID 124592250

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-(pyridin-4-ylmethoxy)benzamide (CID 55840543) is 3-ethoxy-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-(pyridin-4-ylmethoxy)benzamide is CCOc1cc(C(=O)Nc2ccc(CN3CCCC(C)C3)cc2)ccc1OCc1ccncc1.
What is the InChIKey of 3-ethoxy-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is JRAGDLDOQMKOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-3-33-27-17-24(8-11-26(27)34-20-23-12-14-29-15-13-23)28(32)30-25-9-6-22(7-10-25)19-31-16-4-5-21(2)18-31/h6-15,17,21H,3-5,16,18-20H2,1-2H3,(H,30,32).
What are the key properties of 3-ethoxy-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-(pyridin-4-ylmethoxy)benzamide?
3-ethoxy-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 459.59 g/mol, XLogP of 5.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 55840543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).