2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride

C20H35Cl2N3O — CID 119557753

IUPAC2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride
SMILESCc1c(NC(C)C(C)C)cccc1C(=O)NCCC1CCCNC1.Cl.Cl
InChIInChI=1S/C20H33N3O.2ClH/c1-14(2)16(4)23-19-9-5-8-18(15(19)3)20(24)22-12-10-17-7-6-11-21-13-17;;/h5,8-9,14,16-17,21,23H,6-7,10-13H2,1-4H3,(H,22,24);2*1H
InChIKeyBUOIJVZWQWZPDV-UHFFFAOYSA-N
MW404.43 g/mol
LogP4.41
Rot. Bonds7

About 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride

2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride (PubChem CID 119557753) has the molecular formula C20H35Cl2N3O and a molecular weight of 404.43 g/mol. Its IUPAC name is 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride
PubChem CID119557753
Molecular FormulaC20H35Cl2N3O
Molecular Weight404.43 g/mol
Exact Mass403.22
IUPAC Name2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride
SMILESCc1c(NC(C)C(C)C)cccc1C(=O)NCCC1CCCNC1.Cl.Cl
InChIInChI=1S/C20H33N3O.2ClH/c1-14(2)16(4)23-19-9-5-8-18(15(19)3)20(24)22-12-10-17-7-6-11-21-13-17;;/h5,8-9,14,16-17,21,23H,6-7,10-13H2,1-4H3,(H,22,24);2*1H
InChIKeyBUOIJVZWQWZPDV-UHFFFAOYSA-N
XLogP4.41
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536338
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 120945658
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145
N-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 119407414
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 65311677
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534818
N-(2-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide
CID 60895336
N-[2-methyl-6-(2-piperidin-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119556509
2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
CID 119554950
3-methyl-4-oxo-2-phenyl-N-(2-piperidin-3-ylethyl)chromene-8-carboxamide;hydrochloride
CID 119557566

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride?
The IUPAC name of 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride (CID 119557753) is 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride.
What is the SMILES notation for 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride?
The canonical SMILES for 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride is Cc1c(NC(C)C(C)C)cccc1C(=O)NCCC1CCCNC1.Cl.Cl.
What is the InChIKey of 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride?
The InChIKey is BUOIJVZWQWZPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O.2ClH/c1-14(2)16(4)23-19-9-5-8-18(15(19)3)20(24)22-12-10-17-7-6-11-21-13-17;;/h5,8-9,14,16-17,21,23H,6-7,10-13H2,1-4H3,(H,22,24);2*1H.
What are the key properties of 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride?
2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride has a molecular weight of 404.43 g/mol, XLogP of 4.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride is sourced from PubChem (CID 119557753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).