N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride

C15H25BrCl2N4O — CID 119928120

IUPACN-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride
SMILESCCNCC1CCN(CC(=O)Nc2ccc(Br)cn2)CC1.Cl.Cl
InChIInChI=1S/C15H23BrN4O.2ClH/c1-2-17-9-12-5-7-20(8-6-12)11-15(21)19-14-4-3-13(16)10-18-14;;/h3-4,10,12,17H,2,5-9,11H2,1H3,(H,18,19,21);2*1H
InChIKeyXMESORNDSHHTFG-UHFFFAOYSA-N
MW428.20 g/mol
LogP2.95
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride

N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride (PubChem CID 119928120) has the molecular formula C15H25BrCl2N4O and a molecular weight of 428.20 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride
PubChem CID119928120
Molecular FormulaC15H25BrCl2N4O
Molecular Weight428.20 g/mol
Exact Mass426.06
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride
SMILESCCNCC1CCN(CC(=O)Nc2ccc(Br)cn2)CC1.Cl.Cl
InChIInChI=1S/C15H23BrN4O.2ClH/c1-2-17-9-12-5-7-20(8-6-12)11-15(21)19-14-4-3-13(16)10-18-14;;/h3-4,10,12,17H,2,5-9,11H2,1H3,(H,18,19,21);2*1H
InChIKeyXMESORNDSHHTFG-UHFFFAOYSA-N
XLogP2.95
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.20
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide
CID 119926681
(5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119646070
4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
CID 86913488
N-(5-bromo-2-pyridinyl)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 60548261
N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 17066616
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 119927919
N-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305446
4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 37206607
N-(5-bromo-2-pyridinyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 115274071
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-bromo-2-pyridinyl)acetamide;dihydrochloride
CID 120728422
N-(5-bromo-2-pyridinyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55816440
N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248697

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride (CID 119928120) is N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride is CCNCC1CCN(CC(=O)Nc2ccc(Br)cn2)CC1.Cl.Cl.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride?
The InChIKey is XMESORNDSHHTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O.2ClH/c1-2-17-9-12-5-7-20(8-6-12)11-15(21)19-14-4-3-13(16)10-18-14;;/h3-4,10,12,17H,2,5-9,11H2,1H3,(H,18,19,21);2*1H.
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride?
N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride has a molecular weight of 428.20 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119928120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).