N-[2-(N-ethyl-2-methylanilino)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride

C20H35Cl2N3O — CID 119853418

IUPACN-[2-(N-ethyl-2-methylanilino)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCCN(CCNC(=O)CC(C)C1CCCNC1)c1ccccc1C.Cl.Cl
InChIInChI=1S/C20H33N3O.2ClH/c1-4-23(19-10-6-5-8-16(19)2)13-12-22-20(24)14-17(3)18-9-7-11-21-15-18;;/h5-6,8,10,17-18,21H,4,7,9,11-15H2,1-3H3,(H,22,24);2*1H
InChIKeyDUUWUYKAPNVIFE-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.81
Rot. Bonds8

About N-[2-(N-ethyl-2-methylanilino)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride

N-[2-(N-ethyl-2-methylanilino)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119853418) has the molecular formula C20H35Cl2N3O and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[2-(N-ethyl-2-methylanilino)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(N-ethyl-2-methylanilino)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119853418
Molecular FormulaC20H35Cl2N3O
Molecular Weight404.43 g/mol
Exact Mass403.22
IUPAC NameN-[2-(N-ethyl-2-methylanilino)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCCN(CCNC(=O)CC(C)C1CCCNC1)c1ccccc1C.Cl.Cl
InChIInChI=1S/C20H33N3O.2ClH/c1-4-23(19-10-6-5-8-16(19)2)13-12-22-20(24)14-17(3)18-9-7-11-21-15-18;;/h5-6,8,10,17-18,21H,4,7,9,11-15H2,1-3H3,(H,22,24);2*1H
InChIKeyDUUWUYKAPNVIFE-UHFFFAOYSA-N
XLogP3.81
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119688188
N-[3-(2-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119772269
N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119828131
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119741122
N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119869388
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119774521
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434
N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide
CID 119704258

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119853418) is N-[2-(N-ethyl-2-methylanilino)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[2-(N-ethyl-2-methylanilino)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[2-(N-ethyl-2-methylanilino)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride is CCN(CCNC(=O)CC(C)C1CCCNC1)c1ccccc1C.Cl.Cl.
What is the InChIKey of N-[2-(N-ethyl-2-methylanilino)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is DUUWUYKAPNVIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O.2ClH/c1-4-23(19-10-6-5-8-16(19)2)13-12-22-20(24)14-17(3)18-9-7-11-21-15-18;;/h5-6,8,10,17-18,21H,4,7,9,11-15H2,1-3H3,(H,22,24);2*1H.
What are the key properties of N-[2-(N-ethyl-2-methylanilino)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
N-[2-(N-ethyl-2-methylanilino)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 404.43 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-2-methylanilino)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119853418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).