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

C29H37N3O3 — CID 45485982

IUPACN,N-diethyl-4-(N-[1-[2-(furan-3-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccoc3)CC2)cc1
InChIInChI=1S/C29H37N3O3/c1-4-31(5-2)29(33)24-9-11-25(12-10-24)32(27-7-6-8-28(21-27)34-3)26-14-18-30(19-15-26)17-13-23-16-20-35-22-23/h6-12,16,20-22,26H,4-5,13-15,17-19H2,1-3H3
InChIKeyQYRIDQULGPNJJZ-UHFFFAOYSA-N
MW475.63 g/mol
LogP5.62
Rot. Bonds10

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

N,N-diethyl-4-(N-[1-[2-(furan-3-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide (PubChem CID 45485982) 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-3-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(N-[1-[2-(furan-3-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide
PubChem CID45485982
Molecular FormulaC29H37N3O3
Molecular Weight475.63 g/mol
Exact Mass475.28
IUPAC NameN,N-diethyl-4-(N-[1-[2-(furan-3-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccoc3)CC2)cc1
InChIInChI=1S/C29H37N3O3/c1-4-31(5-2)29(33)24-9-11-25(12-10-24)32(27-7-6-8-28(21-27)34-3)26-14-18-30(19-15-26)17-13-23-16-20-35-22-23/h6-12,16,20-22,26H,4-5,13-15,17-19H2,1-3H3
InChIKeyQYRIDQULGPNJJZ-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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Related Compounds

N-(4-Methoxyphenyl)-N-(1-phenethylpiperidin-4-yl)furan-2-carboxamide
CID 137700077
[3-(4-Benzofuran-6-yl-piperazin-1-ylmethyl)-phenyl]-piperidin-1-yl-methanone
CID 10692539
N,N-diethyl-4-((1-(2-(furan-3-yl)ethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)benzamide
CID 45486042
N,N-diethyl-4-((1-(2-(furan-2-yl)ethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)benzamide
CID 45486070
N-[4-(dimethylamino)benzyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 16013214
N-[4-(dimethylamino)benzyl]-N-(furan-2-ylmethyl)-4-(propan-2-yloxy)benzamide
CID 16013239
N-[4-(dimethylamino)benzyl]-2-ethoxy-N-(furan-2-ylmethyl)benzamide
CID 16013278
CETP inhibitor HL16
CID 126695276
N,N-Diethyl-4-{(3-methoxy-phenyl)-[8-(3-methyl-but-2-enyl)-8-aza-bicyclo[3.2.1]oct-3-yl]-amino}-benzamide
CID 10050627
4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-methoxyanilino)-N,N-diethylbenzamide
CID 10525590
4-[(1-Cyclopropylmethyl-3-methyl-piperidin-4-yl)-(3-methoxy-phenyl)-amino]-N,N-diethyl-benzamide
CID 10694822
4-[(1-Allyl-3-methyl-piperidin-4-yl)-(3-methoxy-phenyl)-amino]-N,N-diethyl-benzamide
CID 10717752

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(N-[1-[2-(furan-3-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide?
The IUPAC name of N,N-diethyl-4-(N-[1-[2-(furan-3-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide (CID 45485982) is N,N-diethyl-4-(N-[1-[2-(furan-3-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide.
What is the SMILES notation for N,N-diethyl-4-(N-[1-[2-(furan-3-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide?
The canonical SMILES for N,N-diethyl-4-(N-[1-[2-(furan-3-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide is CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccoc3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-(N-[1-[2-(furan-3-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide?
The InChIKey is QYRIDQULGPNJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O3/c1-4-31(5-2)29(33)24-9-11-25(12-10-24)32(27-7-6-8-28(21-27)34-3)26-14-18-30(19-15-26)17-13-23-16-20-35-22-23/h6-12,16,20-22,26H,4-5,13-15,17-19H2,1-3H3.
What are the key properties of N,N-diethyl-4-(N-[1-[2-(furan-3-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide?
N,N-diethyl-4-(N-[1-[2-(furan-3-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-3-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide is sourced from PubChem (CID 45485982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).