N-[2-[[1-(1-benzylpiperidin-4-yl)naphthalen-2-yl]amino]ethyl]-N-ethylbenzamide

C33H37N3O — CID 142643486

IUPACN-[2-[[1-(1-benzylpiperidin-4-yl)naphthalen-2-yl]amino]ethyl]-N-ethylbenzamide
SMILESCCN(CCNc1ccc2ccccc2c1C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
InChIInChI=1S/C33H37N3O/c1-2-36(33(37)29-14-7-4-8-15-29)24-21-34-31-18-17-27-13-9-10-16-30(27)32(31)28-19-22-35(23-20-28)25-26-11-5-3-6-12-26/h3-18,28,34H,2,19-25H2,1H3
InChIKeyJRTGBSXYSZVKRD-UHFFFAOYSA-N
MW491.68 g/mol
LogP6.79
Rot. Bonds9

About N-[2-[[1-(1-benzylpiperidin-4-yl)naphthalen-2-yl]amino]ethyl]-N-ethylbenzamide

N-[2-[[1-(1-benzylpiperidin-4-yl)naphthalen-2-yl]amino]ethyl]-N-ethylbenzamide (PubChem CID 142643486) has the molecular formula C33H37N3O and a molecular weight of 491.68 g/mol. Its IUPAC name is N-[2-[[1-(1-benzylpiperidin-4-yl)naphthalen-2-yl]amino]ethyl]-N-ethylbenzamide.

Molecular Properties

Compound NameN-[2-[[1-(1-benzylpiperidin-4-yl)naphthalen-2-yl]amino]ethyl]-N-ethylbenzamide
PubChem CID142643486
Molecular FormulaC33H37N3O
Molecular Weight491.68 g/mol
Exact Mass491.29
IUPAC NameN-[2-[[1-(1-benzylpiperidin-4-yl)naphthalen-2-yl]amino]ethyl]-N-ethylbenzamide
SMILESCCN(CCNc1ccc2ccccc2c1C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
InChIInChI=1S/C33H37N3O/c1-2-36(33(37)29-14-7-4-8-15-29)24-21-34-31-18-17-27-13-9-10-16-30(27)32(31)28-19-22-35(23-20-28)25-26-11-5-3-6-12-26/h3-18,28,34H,2,19-25H2,1H3
InChIKeyJRTGBSXYSZVKRD-UHFFFAOYSA-N
XLogP6.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.68
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide
CID 14553502
N-[2-(1-benzylpiperidin-4-yl)ethyl-ethylcarbamothioyl]benzamide
CID 10364177
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide
CID 10019926
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide;hydrochloride
CID 14096792
N-ethyl-N-[2-(ethylamino)ethyl]benzamide
CID 12892915
3-(N-(1-benzylpiperidin-4-yl)anilino)-N,N-diethylbenzamide;N,N-diethyl-4-[naphthalen-1-yl(piperidin-4-yl)amino]benzamide;N,N-diethyl-4-[naphthalen-2-yl(piperidin-4-yl)amino]benzamide;N,N-diethyl-4-(N-piperidin-3-ylanilino)benzamide;N,N-diethyl-4-(N-piperidin-4-ylanilino)benzamide
CID 162163299
4-[[[[(1-benzylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide
CID 110985335
N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid
CID 2903464
4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
CID 10226133
N-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethyl]butanamide
CID 57116659
N-(1-benzylpiperidin-4-yl)-N-(naphthalen-2-ylmethyl)-4-pentylbenzamide
CID 10300867
4-(1-benzylpiperidin-4-yl)benzoic acid
CID 125492559

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(1-benzylpiperidin-4-yl)naphthalen-2-yl]amino]ethyl]-N-ethylbenzamide?
The IUPAC name of N-[2-[[1-(1-benzylpiperidin-4-yl)naphthalen-2-yl]amino]ethyl]-N-ethylbenzamide (CID 142643486) is N-[2-[[1-(1-benzylpiperidin-4-yl)naphthalen-2-yl]amino]ethyl]-N-ethylbenzamide.
What is the SMILES notation for N-[2-[[1-(1-benzylpiperidin-4-yl)naphthalen-2-yl]amino]ethyl]-N-ethylbenzamide?
The canonical SMILES for N-[2-[[1-(1-benzylpiperidin-4-yl)naphthalen-2-yl]amino]ethyl]-N-ethylbenzamide is CCN(CCNc1ccc2ccccc2c1C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[[1-(1-benzylpiperidin-4-yl)naphthalen-2-yl]amino]ethyl]-N-ethylbenzamide?
The InChIKey is JRTGBSXYSZVKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N3O/c1-2-36(33(37)29-14-7-4-8-15-29)24-21-34-31-18-17-27-13-9-10-16-30(27)32(31)28-19-22-35(23-20-28)25-26-11-5-3-6-12-26/h3-18,28,34H,2,19-25H2,1H3.
What are the key properties of N-[2-[[1-(1-benzylpiperidin-4-yl)naphthalen-2-yl]amino]ethyl]-N-ethylbenzamide?
N-[2-[[1-(1-benzylpiperidin-4-yl)naphthalen-2-yl]amino]ethyl]-N-ethylbenzamide has a molecular weight of 491.68 g/mol, XLogP of 6.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(1-benzylpiperidin-4-yl)naphthalen-2-yl]amino]ethyl]-N-ethylbenzamide is sourced from PubChem (CID 142643486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).