N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-(3-methylbutyl)piperidine-4-carboxamide

C21H31BrN2O — CID 11761333

IUPACN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCN1CCC(C(=O)NC2CCc3cc(Br)ccc3C2)CC1
InChIInChI=1S/C21H31BrN2O/c1-15(2)7-10-24-11-8-16(9-12-24)21(25)23-20-6-4-17-13-19(22)5-3-18(17)14-20/h3,5,13,15-16,20H,4,6-12,14H2,1-2H3,(H,23,25)
InChIKeyUTAKENLQEDLUFI-UHFFFAOYSA-N
MW407.40 g/mol
LogP4.18
Rot. Bonds5

About N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-(3-methylbutyl)piperidine-4-carboxamide

N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-(3-methylbutyl)piperidine-4-carboxamide (PubChem CID 11761333) has the molecular formula C21H31BrN2O and a molecular weight of 407.40 g/mol. Its IUPAC name is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-(3-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-(3-methylbutyl)piperidine-4-carboxamide
PubChem CID11761333
Molecular FormulaC21H31BrN2O
Molecular Weight407.40 g/mol
Exact Mass406.16
IUPAC NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCN1CCC(C(=O)NC2CCc3cc(Br)ccc3C2)CC1
InChIInChI=1S/C21H31BrN2O/c1-15(2)7-10-24-11-8-16(9-12-24)21(25)23-20-6-4-17-13-19(22)5-3-18(17)14-20/h3,5,13,15-16,20H,4,6-12,14H2,1-2H3,(H,23,25)
InChIKeyUTAKENLQEDLUFI-UHFFFAOYSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-(3-methylbutyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide
CID 11145276
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 115920101
6-bromo-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55249808
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol
CID 63626390
6-bromo-N-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625349
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
CID 65055516
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrrolidin-3-amine
CID 63626408
N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 10065196
6-bromo-N-hex-1-yn-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 106226118
3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoic acid
CID 63627449
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide
CID 66663510
N-tert-butyl-1-(3-methylbutyl)piperidine-4-carboxamide
CID 51362667

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-(3-methylbutyl)piperidine-4-carboxamide?
The IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-(3-methylbutyl)piperidine-4-carboxamide (CID 11761333) is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-(3-methylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-(3-methylbutyl)piperidine-4-carboxamide?
The canonical SMILES for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-(3-methylbutyl)piperidine-4-carboxamide is CC(C)CCN1CCC(C(=O)NC2CCc3cc(Br)ccc3C2)CC1.
What is the InChIKey of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-(3-methylbutyl)piperidine-4-carboxamide?
The InChIKey is UTAKENLQEDLUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31BrN2O/c1-15(2)7-10-24-11-8-16(9-12-24)21(25)23-20-6-4-17-13-19(22)5-3-18(17)14-20/h3,5,13,15-16,20H,4,6-12,14H2,1-2H3,(H,23,25).
What are the key properties of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-(3-methylbutyl)piperidine-4-carboxamide?
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-(3-methylbutyl)piperidine-4-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-(3-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 11761333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).