N-(1-benzylpiperidin-4-yl)-2-[3-(2-phenylethoxy)anilino]benzamide

C33H35N3O2 — CID 155531910

IUPACN-(1-benzylpiperidin-4-yl)-2-[3-(2-phenylethoxy)anilino]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C33H35N3O2/c37-33(35-28-18-21-36(22-19-28)25-27-12-5-2-6-13-27)31-16-7-8-17-32(31)34-29-14-9-15-30(24-29)38-23-20-26-10-3-1-4-11-26/h1-17,24,28,34H,18-23,25H2,(H,35,37)
InChIKeyZKGBPBVGUPLTNT-UHFFFAOYSA-N
MW505.66 g/mol
LogP6.45
Rot. Bonds10

About N-(1-benzylpiperidin-4-yl)-2-[3-(2-phenylethoxy)anilino]benzamide

N-(1-benzylpiperidin-4-yl)-2-[3-(2-phenylethoxy)anilino]benzamide (PubChem CID 155531910) has the molecular formula C33H35N3O2 and a molecular weight of 505.66 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[3-(2-phenylethoxy)anilino]benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[3-(2-phenylethoxy)anilino]benzamide
PubChem CID155531910
Molecular FormulaC33H35N3O2
Molecular Weight505.66 g/mol
Exact Mass505.27
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[3-(2-phenylethoxy)anilino]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C33H35N3O2/c37-33(35-28-18-21-36(22-19-28)25-27-12-5-2-6-13-27)31-16-7-8-17-32(31)34-29-14-9-15-30(24-29)38-23-20-26-10-3-1-4-11-26/h1-17,24,28,34H,18-23,25H2,(H,35,37)
InChIKeyZKGBPBVGUPLTNT-UHFFFAOYSA-N
XLogP6.45
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.66
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-(1-benzylpiperidin-4-yl)benzamide
CID 27673255
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
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CID 164590008
3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
CID 155425453
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide
CID 42993423
N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide
CID 51113416
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
2-(3-methoxyanilino)-N-pyrrolidin-3-ylbenzamide
CID 119449915
2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide
CID 110451979
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
4-[[3-(2-phenylethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122092860
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide
CID 55745402

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[3-(2-phenylethoxy)anilino]benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[3-(2-phenylethoxy)anilino]benzamide (CID 155531910) is N-(1-benzylpiperidin-4-yl)-2-[3-(2-phenylethoxy)anilino]benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[3-(2-phenylethoxy)anilino]benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[3-(2-phenylethoxy)anilino]benzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1Nc1cccc(OCCc2ccccc2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[3-(2-phenylethoxy)anilino]benzamide?
The InChIKey is ZKGBPBVGUPLTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O2/c37-33(35-28-18-21-36(22-19-28)25-27-12-5-2-6-13-27)31-16-7-8-17-32(31)34-29-14-9-15-30(24-29)38-23-20-26-10-3-1-4-11-26/h1-17,24,28,34H,18-23,25H2,(H,35,37).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[3-(2-phenylethoxy)anilino]benzamide?
N-(1-benzylpiperidin-4-yl)-2-[3-(2-phenylethoxy)anilino]benzamide has a molecular weight of 505.66 g/mol, XLogP of 6.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[3-(2-phenylethoxy)anilino]benzamide is sourced from PubChem (CID 155531910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).