4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide

C26H27N3O3 — CID 56545592

IUPAC4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NC3CCCN(Cc4ccccc4)C3)cc2)cc1
InChIInChI=1S/C26H27N3O3/c27-25(30)20-8-12-23(13-9-20)32-24-14-10-21(11-15-24)26(31)28-22-7-4-16-29(18-22)17-19-5-2-1-3-6-19/h1-3,5-6,8-15,22H,4,7,16-18H2,(H2,27,30)(H,28,31)
InChIKeyLGOJHVGBLCNBCR-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.97
Rot. Bonds7

About 4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide

4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide (PubChem CID 56545592) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide
PubChem CID56545592
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NC3CCCN(Cc4ccccc4)C3)cc2)cc1
InChIInChI=1S/C26H27N3O3/c27-25(30)20-8-12-23(13-9-20)32-24-14-10-21(11-15-24)26(31)28-22-7-4-16-29(18-22)17-19-5-2-1-3-6-19/h1-3,5-6,8-15,22H,4,7,16-18H2,(H2,27,30)(H,28,31)
InChIKeyLGOJHVGBLCNBCR-UHFFFAOYSA-N
XLogP3.97
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 21330045
N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
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N-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide
CID 55653777
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide
CID 113239292
N-[(3S,4S)-1-benzyl-4-hydroxyazepan-3-yl]-4-phenylmethoxybenzamide
CID 10836395
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide
CID 113239291
N-(1-benzylpiperidin-3-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 164881543
2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide
CID 113239287

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide (CID 56545592) is 4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(C(=O)NC3CCCN(Cc4ccccc4)C3)cc2)cc1.
What is the InChIKey of 4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide?
The InChIKey is LGOJHVGBLCNBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c27-25(30)20-8-12-23(13-9-20)32-24-14-10-21(11-15-24)26(31)28-22-7-4-16-29(18-22)17-19-5-2-1-3-6-19/h1-3,5-6,8-15,22H,4,7,16-18H2,(H2,27,30)(H,28,31).
What are the key properties of 4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide?
4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide has a molecular weight of 429.52 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56545592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).