N,N-diethyl-4-(N-[1-[2-(furan-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide

C29H37N3O3 — CID 45485974

IUPACN,N-diethyl-4-(N-[1-[2-(furan-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccco3)CC2)cc1
InChIInChI=1S/C29H37N3O3/c1-4-31(5-2)29(33)23-11-13-24(14-12-23)32(26-8-6-9-28(22-26)34-3)25-15-18-30(19-16-25)20-17-27-10-7-21-35-27/h6-14,21-22,25H,4-5,15-20H2,1-3H3
InChIKeyGLXWYQQJFYJTRN-UHFFFAOYSA-N
MW475.63 g/mol
LogP5.62
Rot. Bonds10

About N,N-diethyl-4-(N-[1-[2-(furan-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide

N,N-diethyl-4-(N-[1-[2-(furan-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide (PubChem CID 45485974) has the molecular formula C29H37N3O3 and a molecular weight of 475.63 g/mol. Its IUPAC name is N,N-diethyl-4-(N-[1-[2-(furan-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(N-[1-[2-(furan-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide
PubChem CID45485974
Molecular FormulaC29H37N3O3
Molecular Weight475.63 g/mol
Exact Mass475.28
IUPAC NameN,N-diethyl-4-(N-[1-[2-(furan-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccco3)CC2)cc1
InChIInChI=1S/C29H37N3O3/c1-4-31(5-2)29(33)23-11-13-24(14-12-23)32(26-8-6-9-28(22-26)34-3)25-15-18-30(19-16-25)20-17-27-10-7-21-35-27/h6-14,21-22,25H,4-5,15-20H2,1-3H3
InChIKeyGLXWYQQJFYJTRN-UHFFFAOYSA-N
XLogP5.62
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.63
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(N-[1-[2-(furan-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide?
The IUPAC name of N,N-diethyl-4-(N-[1-[2-(furan-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide (CID 45485974) is N,N-diethyl-4-(N-[1-[2-(furan-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide.
What is the SMILES notation for N,N-diethyl-4-(N-[1-[2-(furan-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide?
The canonical SMILES for N,N-diethyl-4-(N-[1-[2-(furan-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide is CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccco3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-(N-[1-[2-(furan-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide?
The InChIKey is GLXWYQQJFYJTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O3/c1-4-31(5-2)29(33)23-11-13-24(14-12-23)32(26-8-6-9-28(22-26)34-3)25-15-18-30(19-16-25)20-17-27-10-7-21-35-27/h6-14,21-22,25H,4-5,15-20H2,1-3H3.
What are the key properties of N,N-diethyl-4-(N-[1-[2-(furan-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide?
N,N-diethyl-4-(N-[1-[2-(furan-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide has a molecular weight of 475.63 g/mol, XLogP of 5.62, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(N-[1-[2-(furan-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide is sourced from PubChem (CID 45485974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).