N-(1-amino-2-methylpropan-2-yl)-1-(4-bromo-2-methylbenzoyl)piperidine-3-carboxamide;hydrochloride

C18H27BrClN3O2 — CID 119524663

IUPACN-(1-amino-2-methylpropan-2-yl)-1-(4-bromo-2-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
SMILESCc1cc(Br)ccc1C(=O)N1CCCC(C(=O)NC(C)(C)CN)C1.Cl
InChIInChI=1S/C18H26BrN3O2.ClH/c1-12-9-14(19)6-7-15(12)17(24)22-8-4-5-13(10-22)16(23)21-18(2,3)11-20;/h6-7,9,13H,4-5,8,10-11,20H2,1-3H3,(H,21,23);1H
InChIKeyLNLIQVQSFSFIAC-UHFFFAOYSA-N
MW432.79 g/mol
LogP2.89
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-1-(4-bromo-2-methylbenzoyl)piperidine-3-carboxamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-1-(4-bromo-2-methylbenzoyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119524663) has the molecular formula C18H27BrClN3O2 and a molecular weight of 432.79 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1-(4-bromo-2-methylbenzoyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1-(4-bromo-2-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119524663
Molecular FormulaC18H27BrClN3O2
Molecular Weight432.79 g/mol
Exact Mass431.10
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1-(4-bromo-2-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
SMILESCc1cc(Br)ccc1C(=O)N1CCCC(C(=O)NC(C)(C)CN)C1.Cl
InChIInChI=1S/C18H26BrN3O2.ClH/c1-12-9-14(19)6-7-15(12)17(24)22-8-4-5-13(10-22)16(23)21-18(2,3)11-20;/h6-7,9,13H,4-5,8,10-11,20H2,1-3H3,(H,21,23);1H
InChIKeyLNLIQVQSFSFIAC-UHFFFAOYSA-N
XLogP2.89
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.79
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 119524399
(4-bromo-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43630039
N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
CID 119480898
N-(2-aminoethyl)-1-(4-bromo-2-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119482146
N-(2-aminoethyl)-1-(4-bromo-2-methoxybenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480740
3-N-(1-amino-2-methylpropan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide
CID 119521732
1-(2-amino-5-bromobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103197103
[(3R)-3-aminopyrrolidin-1-yl]-(4-bromo-2-methylphenyl)methanone
CID 81470129
N-[2-(5-bromo-1,3-dioxoisoindol-2-yl)phenyl]-1-(4-bromo-2-methylbenzoyl)piperidine-3-carboxamide
CID 166346409
1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103820449
1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide
CID 79714737
1-benzoyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 110000883

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-(4-bromo-2-methylbenzoyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-(4-bromo-2-methylbenzoyl)piperidine-3-carboxamide;hydrochloride (CID 119524663) is N-(1-amino-2-methylpropan-2-yl)-1-(4-bromo-2-methylbenzoyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1-(4-bromo-2-methylbenzoyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1-(4-bromo-2-methylbenzoyl)piperidine-3-carboxamide;hydrochloride is Cc1cc(Br)ccc1C(=O)N1CCCC(C(=O)NC(C)(C)CN)C1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1-(4-bromo-2-methylbenzoyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is LNLIQVQSFSFIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrN3O2.ClH/c1-12-9-14(19)6-7-15(12)17(24)22-8-4-5-13(10-22)16(23)21-18(2,3)11-20;/h6-7,9,13H,4-5,8,10-11,20H2,1-3H3,(H,21,23);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1-(4-bromo-2-methylbenzoyl)piperidine-3-carboxamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-1-(4-bromo-2-methylbenzoyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 432.79 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-1-(4-bromo-2-methylbenzoyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119524663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).